(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

C14H16ClNO2 — CID 5340098

IUPAC(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16ClNO2/c15-13-6-2-1-4-11(13)7-8-14(17)16-10-12-5-3-9-18-12/h1-2,4,6-8,12H,3,5,9-10H2,(H,16,17)/b8-7+
InChIKeyZHBAVLAWNFUXAQ-BQYQJAHWSA-N
MW265.74 g/mol
LogP2.65
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 5340098) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID5340098
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16ClNO2/c15-13-6-2-1-4-11(13)7-8-14(17)16-10-12-5-3-9-18-12/h1-2,4,6-8,12H,3,5,9-10H2,(H,16,17)/b8-7+
InChIKeyZHBAVLAWNFUXAQ-BQYQJAHWSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide 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 (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 5340098) is (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCC1CCCO1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is ZHBAVLAWNFUXAQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-13-6-2-1-4-11(13)7-8-14(17)16-10-12-5-3-9-18-12/h1-2,4,6-8,12H,3,5,9-10H2,(H,16,17)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 265.74 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 5340098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).