2,3-dihydro-1-benzoxepine-7-carboxamide

C11H11NO2 — CID 144848869

IUPAC2,3-dihydro-1-benzoxepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CCCO2
InChIInChI=1S/C11H11NO2/c12-11(13)9-4-5-10-8(7-9)3-1-2-6-14-10/h1,3-5,7H,2,6H2,(H2,12,13)
InChIKeyFVCROWBEDAMVSP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.58
Rot. Bonds1

About 2,3-dihydro-1-benzoxepine-7-carboxamide

2,3-dihydro-1-benzoxepine-7-carboxamide (PubChem CID 144848869) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,3-dihydro-1-benzoxepine-7-carboxamide.

Molecular Properties

Compound Name2,3-dihydro-1-benzoxepine-7-carboxamide
PubChem CID144848869
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2,3-dihydro-1-benzoxepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CCCO2
InChIInChI=1S/C11H11NO2/c12-11(13)9-4-5-10-8(7-9)3-1-2-6-14-10/h1,3-5,7H,2,6H2,(H2,12,13)
InChIKeyFVCROWBEDAMVSP-UHFFFAOYSA-N
XLogP1.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1-benzoxepine-7-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 2,3-dihydro-1-benzoxepine-7-carboxamide?
The IUPAC name of 2,3-dihydro-1-benzoxepine-7-carboxamide (CID 144848869) is 2,3-dihydro-1-benzoxepine-7-carboxamide.
What is the SMILES notation for 2,3-dihydro-1-benzoxepine-7-carboxamide?
The canonical SMILES for 2,3-dihydro-1-benzoxepine-7-carboxamide is NC(=O)c1ccc2c(c1)C=CCCO2.
What is the InChIKey of 2,3-dihydro-1-benzoxepine-7-carboxamide?
The InChIKey is FVCROWBEDAMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-11(13)9-4-5-10-8(7-9)3-1-2-6-14-10/h1,3-5,7H,2,6H2,(H2,12,13).
What are the key properties of 2,3-dihydro-1-benzoxepine-7-carboxamide?
2,3-dihydro-1-benzoxepine-7-carboxamide has a molecular weight of 189.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzoxepine-7-carboxamide is sourced from PubChem (CID 144848869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).