1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone

C11H19NO — CID 20678659

IUPAC1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1CC2CCCCCC2N1
InChIInChI=1S/C11H19NO/c1-8(13)11-7-9-5-3-2-4-6-10(9)12-11/h9-12H,2-7H2,1H3
InChIKeyUWAXSMAYGPZVHO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds1

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

1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone (PubChem CID 20678659) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone
PubChem CID20678659
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone
SMILESCC(=O)C1CC2CCCCCC2N1
InChIInChI=1S/C11H19NO/c1-8(13)11-7-9-5-3-2-4-6-10(9)12-11/h9-12H,2-7H2,1H3
InChIKeyUWAXSMAYGPZVHO-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone?
The IUPAC name of 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone (CID 20678659) is 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone?
The canonical SMILES for 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone is CC(=O)C1CC2CCCCCC2N1.
What is the InChIKey of 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone?
The InChIKey is UWAXSMAYGPZVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)11-7-9-5-3-2-4-6-10(9)12-11/h9-12H,2-7H2,1H3.
What are the key properties of 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone?
1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[b]pyrrol-2-yl)ethanone is sourced from PubChem (CID 20678659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).