7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one

C13H16N2O2 — CID 54306992

IUPAC7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one
SMILESCC(=O)C1CCC2Cc3cc[nH]c3C(=O)N2C1
InChIInChI=1S/C13H16N2O2/c1-8(16)10-2-3-11-6-9-4-5-14-12(9)13(17)15(11)7-10/h4-5,10-11,14H,2-3,6-7H2,1H3
InChIKeySIFLKCPTVZVONL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.38
Rot. Bonds1

About 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one

7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one (PubChem CID 54306992) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one.

Molecular Properties

Compound Name7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one
PubChem CID54306992
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one
SMILESCC(=O)C1CCC2Cc3cc[nH]c3C(=O)N2C1
InChIInChI=1S/C13H16N2O2/c1-8(16)10-2-3-11-6-9-4-5-14-12(9)13(17)15(11)7-10/h4-5,10-11,14H,2-3,6-7H2,1H3
InChIKeySIFLKCPTVZVONL-UHFFFAOYSA-N
XLogP1.38
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one with MolForge

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Related Compounds

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CID 22094412
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CID 163647671
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
(6aS,9S)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazepine-9-carboxylic acid
CID 86691954
methyl (6aS,9S)-12-oxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzoxazepine-9-carboxylate
CID 131740729
1-[(3R,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethanone
CID 58956949
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
1-(1-ethylsulfonylpyrrolidin-3-yl)ethanone
CID 122244984
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
3-acetyl-3,4-dihydrochromen-2-one
CID 15418519
(6R,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizine-6-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one?
The IUPAC name of 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one (CID 54306992) is 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one.
What is the SMILES notation for 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one?
The canonical SMILES for 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one is CC(=O)C1CCC2Cc3cc[nH]c3C(=O)N2C1.
What is the InChIKey of 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one?
The InChIKey is SIFLKCPTVZVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(16)10-2-3-11-6-9-4-5-14-12(9)13(17)15(11)7-10/h4-5,10-11,14H,2-3,6-7H2,1H3.
What are the key properties of 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one?
7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one has a molecular weight of 232.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4,4a,5,6,7,8-hexahydro-1H-pyrrolo[3,2-b]quinolizin-10-one is sourced from PubChem (CID 54306992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).