(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine

C8H12ClN — CID 144591212

IUPAC(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine
SMILESC=C(Cl)/N=C(/C)C=C(C)C
InChIInChI=1S/C8H12ClN/c1-6(2)5-7(3)10-8(4)9/h5H,4H2,1-3H3/b10-7-
InChIKeyKTVMZHUQGVGPSW-YFHOEESVSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds2

About (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine

(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine (PubChem CID 144591212) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine
PubChem CID144591212
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine
SMILESC=C(Cl)/N=C(/C)C=C(C)C
InChIInChI=1S/C8H12ClN/c1-6(2)5-7(3)10-8(4)9/h5H,4H2,1-3H3/b10-7-
InChIKeyKTVMZHUQGVGPSW-YFHOEESVSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
CID 162613217
4-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 89299679
(E)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117923561
2-chloro-3-ethyl-6,7-dimethyl-4H-azepine
CID 123489443
(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
CID 123642296
N-(1,3-dichloro-4-methylhexa-1,3-dienyl)propan-2-imine
CID 123746419
2-Chloro-7,8-dimethyl-4,5-dihydroazocine
CID 123890337
N-(3,3-dimethylbut-1-en-2-yl)-4-methylpent-3-en-2-imine
CID 135126908
4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
CID 138569674
5,6-dimethyl-2-methylidene-3H-pyridine
CID 140784055
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
2,5,7-trimethyl-4H-azepine
CID 143041208

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine?
The IUPAC name of (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine (CID 144591212) is (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine is C=C(Cl)/N=C(/C)C=C(C)C.
What is the InChIKey of (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine?
The InChIKey is KTVMZHUQGVGPSW-YFHOEESVSA-N. The full InChI is InChI=1S/C8H12ClN/c1-6(2)5-7(3)10-8(4)9/h5H,4H2,1-3H3/b10-7-.
What are the key properties of (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine?
(Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine has a molecular weight of 157.64 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloroethenyl)-4-methylpent-3-en-2-imine is sourced from PubChem (CID 144591212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).