1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone

C44H74N4O4 — CID 90846390

IUPAC1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1C2CCCC2CN1C.CC(=O)C1C2CCCCC2CN1C.CC(=O)C1CC2CC=CC2N1C.CC(=O)C1CC2CCCCCCC2N1C
InChIInChI=1S/C13H23NO.C11H19NO.C10H17NO.C10H15NO/c1-10(15)13-9-11-7-5-3-4-6-8-12(11)14(13)2;1-8(13)11-10-6-4-3-5-9(10)7-12(11)2;1-7(12)10-9-5-3-4-8(9)6-11(10)2;1-7(12)10-6-8-4-3-5-9(8)11(10)2/h11-13H,3-9H2,1-2H3;9-11H,3-7H2,1-2H3;8-10H,3-6H2,1-2H3;3,5,8-10H,4,6H2,1-2H3
InChIKeyBLNBBBBORZUFCG-UHFFFAOYSA-N
MW723.10 g/mol
LogP6.84
Rot. Bonds4

About 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone

1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone (PubChem CID 90846390) has the molecular formula C44H74N4O4 and a molecular weight of 723.10 g/mol. Its IUPAC name is 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
PubChem CID90846390
Molecular FormulaC44H74N4O4
Molecular Weight723.10 g/mol
Exact Mass722.57
IUPAC Name1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1C2CCCC2CN1C.CC(=O)C1C2CCCCC2CN1C.CC(=O)C1CC2CC=CC2N1C.CC(=O)C1CC2CCCCCCC2N1C
InChIInChI=1S/C13H23NO.C11H19NO.C10H17NO.C10H15NO/c1-10(15)13-9-11-7-5-3-4-6-8-12(11)14(13)2;1-8(13)11-10-6-4-3-5-9(10)7-12(11)2;1-7(12)10-9-5-3-4-8(9)6-11(10)2;1-7(12)10-6-8-4-3-5-9(8)11(10)2/h11-13H,3-9H2,1-2H3;9-11H,3-7H2,1-2H3;8-10H,3-6H2,1-2H3;3,5,8-10H,4,6H2,1-2H3
InChIKeyBLNBBBBORZUFCG-UHFFFAOYSA-N
XLogP6.84
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.10
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone (CID 90846390) is 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone is CC(=O)C1C2CCCC2CN1C.CC(=O)C1C2CCCCC2CN1C.CC(=O)C1CC2CC=CC2N1C.CC(=O)C1CC2CCCCCCC2N1C.
What is the InChIKey of 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone?
The InChIKey is BLNBBBBORZUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C11H19NO.C10H17NO.C10H15NO/c1-10(15)13-9-11-7-5-3-4-6-8-12(11)14(13)2;1-8(13)11-10-6-4-3-5-9(10)7-12(11)2;1-7(12)10-9-5-3-4-8(9)6-11(10)2;1-7(12)10-6-8-4-3-5-9(8)11(10)2/h11-13H,3-9H2,1-2H3;9-11H,3-7H2,1-2H3;8-10H,3-6H2,1-2H3;3,5,8-10H,4,6H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone?
1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone has a molecular weight of 723.10 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]pyrrol-2-yl)ethanone;1-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl)ethanone;1-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)ethanone;1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone is sourced from PubChem (CID 90846390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).