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

C14H21NO — CID 10220077

IUPAC1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2CCC3CCCCC3N12
InChIInChI=1S/C14H21NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h8,11-12,14H,2-7,9H2,1H3
InChIKeyOOVUYWZELRALAO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds

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

1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (PubChem CID 10220077) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
PubChem CID10220077
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2CCC3CCCCC3N12
InChIInChI=1S/C14H21NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h8,11-12,14H,2-7,9H2,1H3
InChIKeyOOVUYWZELRALAO-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (CID 10220077) is 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is CC1=CC(=O)CC2CCC3CCCCC3N12.
What is the InChIKey of 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The InChIKey is OOVUYWZELRALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h8,11-12,14H,2-7,9H2,1H3.
What are the key properties of 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10220077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).