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

C6H10ClN — CID 91469125

IUPAC3-chloro-N-methylpent-3-en-2-imine
SMILESCC=C(Cl)/C(C)=N/C
InChIInChI=1S/C6H10ClN/c1-4-6(7)5(2)8-3/h4H,1-3H3/b6-4?,8-5+
InChIKeyLDUXDXZYNKNOFS-ZDAFHCPXSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds1

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

3-chloro-N-methylpent-3-en-2-imine (PubChem CID 91469125) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 3-chloro-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name3-chloro-N-methylpent-3-en-2-imine
PubChem CID91469125
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name3-chloro-N-methylpent-3-en-2-imine
SMILESCC=C(Cl)/C(C)=N/C
InChIInChI=1S/C6H10ClN/c1-4-6(7)5(2)8-3/h4H,1-3H3/b6-4?,8-5+
InChIKeyLDUXDXZYNKNOFS-ZDAFHCPXSA-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-N-methylpent-3-en-2-imine
CID 58359864
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
3-chloro-7-methyl-4H-azepine
CID 91274266
(E)-3-chloro-N-methylpent-3-en-2-imine
CID 91456997
(E)-3-chloropent-3-en-2-imine
CID 91487209
4-Chloro-6-methyl-2,3-dihydropyridine
CID 118227919
N-methylpent-2-enimidoyl chloride
CID 123588934
(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
CID 123642296
3-chloro-N-methylbut-3-en-2-imine
CID 123650556
N-(3-chloropent-3-enyl)pent-3-en-2-imine
CID 123811258
(Z)-5-chloro-N-methylhex-3-en-2-imine
CID 123943225
4-Chloro-6-ethyl-2,3-dihydropyridine
CID 132151433

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylpent-3-en-2-imine?
The IUPAC name of 3-chloro-N-methylpent-3-en-2-imine (CID 91469125) is 3-chloro-N-methylpent-3-en-2-imine.
What is the SMILES notation for 3-chloro-N-methylpent-3-en-2-imine?
The canonical SMILES for 3-chloro-N-methylpent-3-en-2-imine is CC=C(Cl)/C(C)=N/C.
What is the InChIKey of 3-chloro-N-methylpent-3-en-2-imine?
The InChIKey is LDUXDXZYNKNOFS-ZDAFHCPXSA-N. The full InChI is InChI=1S/C6H10ClN/c1-4-6(7)5(2)8-3/h4H,1-3H3/b6-4?,8-5+.
What are the key properties of 3-chloro-N-methylpent-3-en-2-imine?
3-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 3-chloro-N-methylpent-3-en-2-imine is sourced from PubChem (CID 91469125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).