N-prop-2-enylazepane-2-carboxamide

C10H18N2O — CID 64564557

IUPACN-prop-2-enylazepane-2-carboxamide
SMILESC=CCNC(=O)C1CCCCCN1
InChIInChI=1S/C10H18N2O/c1-2-7-12-10(13)9-6-4-3-5-8-11-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyTXLABXHMBFSYRC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds3

About N-prop-2-enylazepane-2-carboxamide

N-prop-2-enylazepane-2-carboxamide (PubChem CID 64564557) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-prop-2-enylazepane-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylazepane-2-carboxamide
PubChem CID64564557
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-prop-2-enylazepane-2-carboxamide
SMILESC=CCNC(=O)C1CCCCCN1
InChIInChI=1S/C10H18N2O/c1-2-7-12-10(13)9-6-4-3-5-8-11-9/h2,9,11H,1,3-8H2,(H,12,13)
InChIKeyTXLABXHMBFSYRC-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-prop-2-enylazepane-2-carboxamide 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 N-prop-2-enylazepane-2-carboxamide?
The IUPAC name of N-prop-2-enylazepane-2-carboxamide (CID 64564557) is N-prop-2-enylazepane-2-carboxamide.
What is the SMILES notation for N-prop-2-enylazepane-2-carboxamide?
The canonical SMILES for N-prop-2-enylazepane-2-carboxamide is C=CCNC(=O)C1CCCCCN1.
What is the InChIKey of N-prop-2-enylazepane-2-carboxamide?
The InChIKey is TXLABXHMBFSYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-7-12-10(13)9-6-4-3-5-8-11-9/h2,9,11H,1,3-8H2,(H,12,13).
What are the key properties of N-prop-2-enylazepane-2-carboxamide?
N-prop-2-enylazepane-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylazepane-2-carboxamide is sourced from PubChem (CID 64564557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).