(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine

C7H10ClN — CID 88971032

IUPAC(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
SMILESC=C(/C=N/C)/C(Cl)=C\C
InChIInChI=1S/C7H10ClN/c1-4-7(8)6(2)5-9-3/h4-5H,2H2,1,3H3/b7-4+,9-5+
InChIKeyGVLNFSLRSQYWBH-XCIOYXGDSA-N
MW143.62 g/mol
LogP2.39
Rot. Bonds2

About (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine

(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine (PubChem CID 88971032) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine.

Molecular Properties

Compound Name(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
PubChem CID88971032
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
SMILESC=C(/C=N/C)/C(Cl)=C\C
InChIInChI=1S/C7H10ClN/c1-4-7(8)6(2)5-9-3/h4-5H,2H2,1,3H3/b7-4+,9-5+
InChIKeyGVLNFSLRSQYWBH-XCIOYXGDSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine?
The IUPAC name of (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine (CID 88971032) is (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine.
What is the SMILES notation for (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine?
The canonical SMILES for (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine is C=C(/C=N/C)/C(Cl)=C\C.
What is the InChIKey of (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine?
The InChIKey is GVLNFSLRSQYWBH-XCIOYXGDSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-7(8)6(2)5-9-3/h4-5H,2H2,1,3H3/b7-4+,9-5+.
What are the key properties of (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine?
(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine has a molecular weight of 143.62 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine is sourced from PubChem (CID 88971032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).