1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone

C14H23NO — CID 58849784

IUPAC1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1CC2C3CCCCC3CC2N1C
InChIInChI=1S/C14H23NO/c1-9(16)13-8-12-11-6-4-3-5-10(11)7-14(12)15(13)2/h10-14H,3-8H2,1-2H3
InChIKeyZPRZWFMMXITIEN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.47
Rot. Bonds1

About 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone

1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone (PubChem CID 58849784) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone
PubChem CID58849784
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1CC2C3CCCCC3CC2N1C
InChIInChI=1S/C14H23NO/c1-9(16)13-8-12-11-6-4-3-5-10(11)7-14(12)15(13)2/h10-14H,3-8H2,1-2H3
InChIKeyZPRZWFMMXITIEN-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone (CID 58849784) is 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone is CC(=O)C1CC2C3CCCCC3CC2N1C.
What is the InChIKey of 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone?
The InChIKey is ZPRZWFMMXITIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(16)13-8-12-11-6-4-3-5-10(11)7-14(12)15(13)2/h10-14H,3-8H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone?
1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone has a molecular weight of 221.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-indeno[2,1-b]pyrrol-2-yl)ethanone is sourced from PubChem (CID 58849784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).