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

C6H10ClN — CID 148839636

IUPAC3-chloro-4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(Cl)=C(C)C
InChIInChI=1S/C6H10ClN/c1-4(2)6(7)5(3)8/h8H,1-3H3/b8-5+
InChIKeyOVHFMYYJFZKQPW-VMPITWQZSA-N
MW131.61 g/mol
LogP2.56
Rot. Bonds1

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

3-chloro-4-methylpent-3-en-2-imine (PubChem CID 148839636) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 3-chloro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name3-chloro-4-methylpent-3-en-2-imine
PubChem CID148839636
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name3-chloro-4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C(Cl)=C(C)C
InChIInChI=1S/C6H10ClN/c1-4(2)6(7)5(3)8/h8H,1-3H3/b8-5+
InChIKeyOVHFMYYJFZKQPW-VMPITWQZSA-N
XLogP2.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethylpent-3-en-2-imine
CID 91089455
(2E)-3,5-dichloro-6-methylocta-2,5-dien-4-imine
CID 91186709
(E)-3-chloropent-3-en-2-imine
CID 91487209
(E)-4-chloro-3-methylpent-3-en-2-imine
CID 143197126
(Z)-4-chloro-3-methylpent-3-en-2-imine
CID 156193563
(E)-3-chlorohex-3-ene-2,5-diimine
CID 176561081

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methylpent-3-en-2-imine?
The IUPAC name of 3-chloro-4-methylpent-3-en-2-imine (CID 148839636) is 3-chloro-4-methylpent-3-en-2-imine.
What is the SMILES notation for 3-chloro-4-methylpent-3-en-2-imine?
The canonical SMILES for 3-chloro-4-methylpent-3-en-2-imine is [H]/N=C(\C)C(Cl)=C(C)C.
What is the InChIKey of 3-chloro-4-methylpent-3-en-2-imine?
The InChIKey is OVHFMYYJFZKQPW-VMPITWQZSA-N. The full InChI is InChI=1S/C6H10ClN/c1-4(2)6(7)5(3)8/h8H,1-3H3/b8-5+.
What are the key properties of 3-chloro-4-methylpent-3-en-2-imine?
3-chloro-4-methylpent-3-en-2-imine has a molecular weight of 131.61 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 148839636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).