(E)-4-chloro-N,N-diethylpent-2-enamide

C9H16ClNO — CID 18799937

IUPAC(E)-4-chloro-N,N-diethylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C9H16ClNO/c1-4-11(5-2)9(12)7-6-8(3)10/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyZZPGFFRMBXEUQF-VOTSOKGWSA-N
MW189.69 g/mol
LogP2.04
Rot. Bonds4

About (E)-4-chloro-N,N-diethylpent-2-enamide

(E)-4-chloro-N,N-diethylpent-2-enamide (PubChem CID 18799937) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (E)-4-chloro-N,N-diethylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-chloro-N,N-diethylpent-2-enamide
PubChem CID18799937
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(E)-4-chloro-N,N-diethylpent-2-enamide
SMILESCCN(CC)C(=O)/C=C/C(C)Cl
InChIInChI=1S/C9H16ClNO/c1-4-11(5-2)9(12)7-6-8(3)10/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyZZPGFFRMBXEUQF-VOTSOKGWSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-N,N-diethylpent-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)-4-chloro-N,N-diethylpent-2-enamide?
The IUPAC name of (E)-4-chloro-N,N-diethylpent-2-enamide (CID 18799937) is (E)-4-chloro-N,N-diethylpent-2-enamide.
What is the SMILES notation for (E)-4-chloro-N,N-diethylpent-2-enamide?
The canonical SMILES for (E)-4-chloro-N,N-diethylpent-2-enamide is CCN(CC)C(=O)/C=C/C(C)Cl.
What is the InChIKey of (E)-4-chloro-N,N-diethylpent-2-enamide?
The InChIKey is ZZPGFFRMBXEUQF-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-4-11(5-2)9(12)7-6-8(3)10/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-4-chloro-N,N-diethylpent-2-enamide?
(E)-4-chloro-N,N-diethylpent-2-enamide has a molecular weight of 189.69 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-N,N-diethylpent-2-enamide is sourced from PubChem (CID 18799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).