(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

C9H15NO — CID 7055065

IUPAC(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESO=C1CCN2CCCC[C@H]2C1
InChIInChI=1S/C9H15NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h8H,1-7H2/t8-/m0/s1
InChIKeyRRPGLCASKVWATQ-QMMMGPOBSA-N
MW153.22 g/mol
LogP1.20
Rot. Bonds

About (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (PubChem CID 7055065) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.

Molecular Properties

Compound Name(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
PubChem CID7055065
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESO=C1CCN2CCCC[C@H]2C1
InChIInChI=1S/C9H15NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h8H,1-7H2/t8-/m0/s1
InChIKeyRRPGLCASKVWATQ-QMMMGPOBSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The IUPAC name of (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (CID 7055065) is (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.
What is the SMILES notation for (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The canonical SMILES for (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is O=C1CCN2CCCC[C@H]2C1.
What is the InChIKey of (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The InChIKey is RRPGLCASKVWATQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h8H,1-7H2/t8-/m0/s1.
What are the key properties of (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is sourced from PubChem (CID 7055065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).