4-chloro-N-methylpent-3-en-2-imine

C6H10ClN — CID 76733626

IUPAC4-chloro-N-methylpent-3-en-2-imine
SMILESC/N=C(\C)C=C(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4H,1-3H3/b5-4?,8-6+
InChIKeyCNXYCEFVJAUYDN-MJZAGPDTSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-N-methylpent-3-en-2-imine

4-chloro-N-methylpent-3-en-2-imine (PubChem CID 76733626) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 4-chloro-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name4-chloro-N-methylpent-3-en-2-imine
PubChem CID76733626
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name4-chloro-N-methylpent-3-en-2-imine
SMILESC/N=C(\C)C=C(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4H,1-3H3/b5-4?,8-6+
InChIKeyCNXYCEFVJAUYDN-MJZAGPDTSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 91330788
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942
N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
N,4-dimethylpent-3-en-2-imine
CID 20725565
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
(Z)-N-ethylpent-3-en-2-imine
CID 87420267
(Z)-N-methylhex-3-en-2-imine
CID 88993764
3-Chloro-6-methyl-2,3-dihydropyridine
CID 89932265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylpent-3-en-2-imine?
The IUPAC name of 4-chloro-N-methylpent-3-en-2-imine (CID 76733626) is 4-chloro-N-methylpent-3-en-2-imine.
What is the SMILES notation for 4-chloro-N-methylpent-3-en-2-imine?
The canonical SMILES for 4-chloro-N-methylpent-3-en-2-imine is C/N=C(\C)C=C(C)Cl.
What is the InChIKey of 4-chloro-N-methylpent-3-en-2-imine?
The InChIKey is CNXYCEFVJAUYDN-MJZAGPDTSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5(7)4-6(2)8-3/h4H,1-3H3/b5-4?,8-6+.
What are the key properties of 4-chloro-N-methylpent-3-en-2-imine?
4-chloro-N-methylpent-3-en-2-imine has a molecular weight of 131.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylpent-3-en-2-imine is sourced from PubChem (CID 76733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).