1,2,3,6,9,9a-hexahydroquinolizin-4-one

C9H13NO — CID 10534846

IUPAC1,2,3,6,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CCCC2CC=CCN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-2,8H,3-7H2
InChIKeyRNBADPUMRXUSKN-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About 1,2,3,6,9,9a-hexahydroquinolizin-4-one

1,2,3,6,9,9a-hexahydroquinolizin-4-one (PubChem CID 10534846) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,3,6,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name1,2,3,6,9,9a-hexahydroquinolizin-4-one
PubChem CID10534846
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,2,3,6,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CCCC2CC=CCN12
InChIInChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-2,8H,3-7H2
InChIKeyRNBADPUMRXUSKN-UHFFFAOYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6,7,9a-Hexahydroquinolizin-4-one
CID 11789379
8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one
CID 11194649
1,2,3,8,9,9a-Hexahydro-4H-quinolizin-4-one
CID 12710061
1-Methyl-6-prop-2-enylpiperidin-2-one
CID 10820764
1-But-3-enyl-6-ethenylpiperidin-2-one
CID 14942502
2,3,6,7,8,10a-hexahydropyrido[1,2-a]azepin-4(1H)-one
CID 24977911
6-Ethenyl-1-pent-4-enylpiperidin-2-one
CID 131874685
6-Ethenyl-1-hex-5-enylpiperidin-2-one
CID 134897626
(10Z)-1,2,3,6,7,8,9,11a-octahydropyrido[1,2-a]azocin-4-one
CID 134992522
2,3,6,7,8,9a-hexahydro-1H-quinolizin-8-ylium-4-one
CID 166448680
CID 10558983
CID 10558983
6-Buta-1,3-dien-2-yl-1-prop-2-enylpiperidin-2-one
CID 12104446

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 1,2,3,6,9,9a-hexahydroquinolizin-4-one (CID 10534846) is 1,2,3,6,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 1,2,3,6,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 1,2,3,6,9,9a-hexahydroquinolizin-4-one is O=C1CCCC2CC=CCN12.
What is the InChIKey of 1,2,3,6,9,9a-hexahydroquinolizin-4-one?
The InChIKey is RNBADPUMRXUSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-2,8H,3-7H2.
What are the key properties of 1,2,3,6,9,9a-hexahydroquinolizin-4-one?
1,2,3,6,9,9a-hexahydroquinolizin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 10534846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).