3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride

C11H14ClN — CID 143401353

IUPAC3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
SMILESC=CC(C=C)=C(/C=C\C)/C(Cl)=N/C
InChIInChI=1S/C11H14ClN/c1-5-8-10(11(12)13-4)9(6-2)7-3/h5-8H,2-3H2,1,4H3/b8-5-,13-11-
InChIKeyDSPCTWHGDIAVJU-RFPRJPDFSA-N
MW195.69 g/mol
LogP3.50
Rot. Bonds4

About 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride

3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride (PubChem CID 143401353) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
PubChem CID143401353
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
SMILESC=CC(C=C)=C(/C=C\C)/C(Cl)=N/C
InChIInChI=1S/C11H14ClN/c1-5-8-10(11(12)13-4)9(6-2)7-3/h5-8H,2-3H2,1,4H3/b8-5-,13-11-
InChIKeyDSPCTWHGDIAVJU-RFPRJPDFSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,7E)-2-chloro-7-fluoro-N-methyl-4-methylidenenona-1,5,7-trien-3-imine
CID 166807621
(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
CID 88971032
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
N-(4-methylideneocta-2,5,7-trienyl)ethanimidoyl chloride
CID 123516910
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
CID 123530294
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
3-chloro-N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 123770500
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(Z)-N,2-dimethylpent-2-enimidoyl chloride
CID 142087024
(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
CID 142254741
ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401352

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The IUPAC name of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride (CID 143401353) is 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride.
What is the SMILES notation for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The canonical SMILES for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride is C=CC(C=C)=C(/C=C\C)/C(Cl)=N/C.
What is the InChIKey of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
The InChIKey is DSPCTWHGDIAVJU-RFPRJPDFSA-N. The full InChI is InChI=1S/C11H14ClN/c1-5-8-10(11(12)13-4)9(6-2)7-3/h5-8H,2-3H2,1,4H3/b8-5-,13-11-.
What are the key properties of 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride?
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride has a molecular weight of 195.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride is sourced from PubChem (CID 143401353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).