(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide

C10H12ClNO2 — CID 153331395

IUPAC(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)CCl
InChIInChI=1S/C10H12ClNO2/c1-4-8(6-13)9(5-2)10(14)12(3)7-11/h4-6H,1-2,7H2,3H3/b9-8-
InChIKeyPLQIWNCZMPNPAG-HJWRWDBZSA-N
MW213.66 g/mol
LogP1.51
Rot. Bonds5

About (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide

(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide (PubChem CID 153331395) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
PubChem CID153331395
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\C=C)C(=O)N(C)CCl
InChIInChI=1S/C10H12ClNO2/c1-4-8(6-13)9(5-2)10(14)12(3)7-11/h4-6H,1-2,7H2,3H3/b9-8-
InChIKeyPLQIWNCZMPNPAG-HJWRWDBZSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide with MolForge

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

Launch Full Analysis

Related Compounds

ethane;(2Z)-2-ethenyl-3-formyl-N,N-dimethylpenta-2,4-dienamide
CID 145145481
(2Z)-2-ethenyl-3-formyl-N-methyl-N-(1H-pyrrol-2-yl)penta-2,4-dienamide
CID 143087649
(2Z,5Z,6Z,8Z)-5-butan-2-ylidene-2,3-bis(ethenyl)-4-oxodeca-2,6,8-trienal
CID 145266493
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
dichloromethane;prop-2-enoic acid
CID 87132958
N,N-dimethylmethanamine;prop-2-enoic acid
CID 87439346
dichloromethane;prop-2-enoyl chloride
CID 146265417

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide?
The IUPAC name of (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide (CID 153331395) is (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide is C=C/C(C=O)=C(\C=C)C(=O)N(C)CCl.
What is the InChIKey of (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide?
The InChIKey is PLQIWNCZMPNPAG-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-4-8(6-13)9(5-2)10(14)12(3)7-11/h4-6H,1-2,7H2,3H3/b9-8-.
What are the key properties of (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide?
(2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide has a molecular weight of 213.66 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(chloromethyl)-2-ethenyl-3-formyl-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 153331395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).