2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one

C12H15NO — CID 72810081

IUPAC2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESO=C1CCCC2=C1C=CC1CCCN21
InChIInChI=1S/C12H15NO/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-13(9)11/h6-7,9H,1-5,8H2
InChIKeyCNFPDQOWNXJKDV-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds

About 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one

2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one (PubChem CID 72810081) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one.

Molecular Properties

Compound Name2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one
PubChem CID72810081
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one
SMILESO=C1CCCC2=C1C=CC1CCCN21
InChIInChI=1S/C12H15NO/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-13(9)11/h6-7,9H,1-5,8H2
InChIKeyCNFPDQOWNXJKDV-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The IUPAC name of 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one (CID 72810081) is 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one.
What is the SMILES notation for 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The canonical SMILES for 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one is O=C1CCCC2=C1C=CC1CCCN21.
What is the InChIKey of 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one?
The InChIKey is CNFPDQOWNXJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-12-5-1-4-11-10(12)7-6-9-3-2-8-13(9)11/h6-7,9H,1-5,8H2.
What are the key properties of 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one?
2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one has a molecular weight of 189.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7,8,9-hexahydro-1H-pyrrolo[1,2-a]quinolin-6-one is sourced from PubChem (CID 72810081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).