(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine

C7H12ClN — CID 167187204

IUPAC(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(/C)Cl
InChIInChI=1S/C7H12ClN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5-,9-7+
InChIKeyVKSYRNVPJFJCNU-BZWSEGBZSA-N
MW145.63 g/mol
LogP2.61
Rot. Bonds1

About (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine

(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine (PubChem CID 167187204) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine
PubChem CID167187204
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(C)/C(C)=C(/C)Cl
InChIInChI=1S/C7H12ClN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5-,9-7+
InChIKeyVKSYRNVPJFJCNU-BZWSEGBZSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine?
The IUPAC name of (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine (CID 167187204) is (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine is C/N=C(C)/C(C)=C(/C)Cl.
What is the InChIKey of (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine?
The InChIKey is VKSYRNVPJFJCNU-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H12ClN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5-,9-7+.
What are the key properties of (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine?
(Z)-4-chloro-N,3-dimethylpent-3-en-2-imine has a molecular weight of 145.63 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloro-N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 167187204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).