2-methyl-N-pent-3-enylprop-2-enimidoyl chloride

C9H14ClN — CID 123530294

IUPAC2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/CCC=CC
InChIInChI=1S/C9H14ClN/c1-4-5-6-7-11-9(10)8(2)3/h4-5H,2,6-7H2,1,3H3/b5-4?,11-9-
InChIKeyIHUCMYVRSKKSNQ-IGTYUACSSA-N
MW171.67 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride

2-methyl-N-pent-3-enylprop-2-enimidoyl chloride (PubChem CID 123530294) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
PubChem CID123530294
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2-methyl-N-pent-3-enylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/CCC=CC
InChIInChI=1S/C9H14ClN/c1-4-5-6-7-11-9(10)8(2)3/h4-5H,2,6-7H2,1,3H3/b5-4?,11-9-
InChIKeyIHUCMYVRSKKSNQ-IGTYUACSSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride 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

(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
CID 88971032
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612
N,2-dimethylhexa-2,5-dienimidoyl chloride
CID 123718919
(2E)-5-chloro-N,2-dimethylhepta-2,6-dien-1-imine
CID 139435606
(Z)-N,2-dimethylpent-2-enimidoyl chloride
CID 142087024
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
(5E)-N,2-dimethylhepta-2,5-dien-1-imine
CID 143108380
ethane;3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidoyl chloride
CID 143401352
1-(4-chloro-3,5-dimethylcyclohepta-1,3,5,6-tetraen-1-yl)-N-methylmethanimine
CID 144230263
(E)-2-methyl-N-[(Z)-prop-1-enyl]hex-2-enimidoyl chloride
CID 155274564
7-chloro-5-ethyl-6-methyl-4H-azepine
CID 170274140
(2E)-9-chloro-8-methyl-5,6-dihydro-4H-azonine
CID 173896799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride?
The IUPAC name of 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride (CID 123530294) is 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride.
What is the SMILES notation for 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride?
The canonical SMILES for 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride is C=C(C)/C(Cl)=N/CCC=CC.
What is the InChIKey of 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride?
The InChIKey is IHUCMYVRSKKSNQ-IGTYUACSSA-N. The full InChI is InChI=1S/C9H14ClN/c1-4-5-6-7-11-9(10)8(2)3/h4-5H,2,6-7H2,1,3H3/b5-4?,11-9-.
What are the key properties of 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride?
2-methyl-N-pent-3-enylprop-2-enimidoyl chloride has a molecular weight of 171.67 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-3-enylprop-2-enimidoyl chloride is sourced from PubChem (CID 123530294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).