4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one

C14H23NO — CID 10198369

IUPAC4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)CCN2C3CCCCC3CCC12
InChIInChI=1S/C14H23NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h10-13H,2-9H2,1H3
InChIKeyGAQQIPZOKAMFOM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.62
Rot. Bonds

About 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one

4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one (PubChem CID 10198369) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one
PubChem CID10198369
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)CCN2C3CCCCC3CCC12
InChIInChI=1S/C14H23NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h10-13H,2-9H2,1H3
InChIKeyGAQQIPZOKAMFOM-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one (CID 10198369) is 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one is CC1C(=O)CCN2C3CCCCC3CCC12.
What is the InChIKey of 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one?
The InChIKey is GAQQIPZOKAMFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h10-13H,2-9H2,1H3.
What are the key properties of 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one?
4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one has a molecular weight of 221.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4,4a,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10198369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).