N-methyldecahydroquinolone

C10H17NO — CID 85934367

IUPAC1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
SMILESCN1C2CCCCC2CCC1=O
InChIInChI=1S/C10H17NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h8-9H,2-7H2,1H3
InChIKeyUIFACQRYKIRYLT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds

About N-methyldecahydroquinolone

N-methyldecahydroquinolone (PubChem CID 85934367) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one.

Molecular Properties

Compound NameN-methyldecahydroquinolone
PubChem CID85934367
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
SMILESCN1C2CCCCC2CCC1=O
InChIInChI=1S/C10H17NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h8-9H,2-7H2,1H3
InChIKeyUIFACQRYKIRYLT-UHFFFAOYSA-N
XLogP1.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity190

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyldecahydroquinolone?
The IUPAC name of N-methyldecahydroquinolone (CID 85934367) is 1-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one.
What is the SMILES notation for N-methyldecahydroquinolone?
The canonical SMILES for N-methyldecahydroquinolone is CN1C2CCCCC2CCC1=O.
What is the InChIKey of N-methyldecahydroquinolone?
The InChIKey is UIFACQRYKIRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h8-9H,2-7H2,1H3.
What are the key properties of N-methyldecahydroquinolone?
N-methyldecahydroquinolone has a molecular weight of 167.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldecahydroquinolone is sourced from PubChem (CID 85934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).