4-[(1-methylcyclopentyl)methylamino]azepan-2-one

C13H24N2O — CID 63889274

IUPAC4-[(1-methylcyclopentyl)methylamino]azepan-2-one
SMILESCC1(CNC2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C13H24N2O/c1-13(6-2-3-7-13)10-15-11-5-4-8-14-12(16)9-11/h11,15H,2-10H2,1H3,(H,14,16)
InChIKeyNPSSFZAPYYNFMX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds3

About 4-[(1-methylcyclopentyl)methylamino]azepan-2-one

4-[(1-methylcyclopentyl)methylamino]azepan-2-one (PubChem CID 63889274) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[(1-methylcyclopentyl)methylamino]azepan-2-one.

Molecular Properties

Compound Name4-[(1-methylcyclopentyl)methylamino]azepan-2-one
PubChem CID63889274
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[(1-methylcyclopentyl)methylamino]azepan-2-one
SMILESCC1(CNC2CCCNC(=O)C2)CCCC1
InChIInChI=1S/C13H24N2O/c1-13(6-2-3-7-13)10-15-11-5-4-8-14-12(16)9-11/h11,15H,2-10H2,1H3,(H,14,16)
InChIKeyNPSSFZAPYYNFMX-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopentyl)methylamino]azepan-2-one?
The IUPAC name of 4-[(1-methylcyclopentyl)methylamino]azepan-2-one (CID 63889274) is 4-[(1-methylcyclopentyl)methylamino]azepan-2-one.
What is the SMILES notation for 4-[(1-methylcyclopentyl)methylamino]azepan-2-one?
The canonical SMILES for 4-[(1-methylcyclopentyl)methylamino]azepan-2-one is CC1(CNC2CCCNC(=O)C2)CCCC1.
What is the InChIKey of 4-[(1-methylcyclopentyl)methylamino]azepan-2-one?
The InChIKey is NPSSFZAPYYNFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(6-2-3-7-13)10-15-11-5-4-8-14-12(16)9-11/h11,15H,2-10H2,1H3,(H,14,16).
What are the key properties of 4-[(1-methylcyclopentyl)methylamino]azepan-2-one?
4-[(1-methylcyclopentyl)methylamino]azepan-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopentyl)methylamino]azepan-2-one is sourced from PubChem (CID 63889274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).