azepan-1-yl-(1-phenylcyclopropyl)methanone

C16H21NO — CID 30944921

IUPACazepan-1-yl-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21NO/c18-15(17-12-6-1-2-7-13-17)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChIKeyKQPBGFHDGKSUKL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.12
Rot. Bonds2

About azepan-1-yl-(1-phenylcyclopropyl)methanone

azepan-1-yl-(1-phenylcyclopropyl)methanone (PubChem CID 30944921) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is azepan-1-yl-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-phenylcyclopropyl)methanone
PubChem CID30944921
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Nameazepan-1-yl-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CCCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21NO/c18-15(17-12-6-1-2-7-13-17)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChIKeyKQPBGFHDGKSUKL-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azepan-1-yl-(1-phenylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-phenylcyclopropyl)methanone?
The IUPAC name of azepan-1-yl-(1-phenylcyclopropyl)methanone (CID 30944921) is azepan-1-yl-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for azepan-1-yl-(1-phenylcyclopropyl)methanone?
The canonical SMILES for azepan-1-yl-(1-phenylcyclopropyl)methanone is O=C(N1CCCCCC1)C1(c2ccccc2)CC1.
What is the InChIKey of azepan-1-yl-(1-phenylcyclopropyl)methanone?
The InChIKey is KQPBGFHDGKSUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-15(17-12-6-1-2-7-13-17)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2.
What are the key properties of azepan-1-yl-(1-phenylcyclopropyl)methanone?
azepan-1-yl-(1-phenylcyclopropyl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 30944921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).