(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine

C10H16ClN — CID 123249400

IUPAC(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C\Cl)C(C)CC
InChIInChI=1S/C10H16ClN/c1-4-6-7-12-10(8-11)9(3)5-2/h4,6-9H,5H2,1-3H3/b6-4-,10-8+,12-7+
InChIKeyRCARPXFSVNEAMO-UZCNNJDPSA-N
MW185.70 g/mol
LogP3.76
Rot. Bonds4

About (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine

(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine (PubChem CID 123249400) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine
PubChem CID123249400
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C\Cl)C(C)CC
InChIInChI=1S/C10H16ClN/c1-4-6-7-12-10(8-11)9(3)5-2/h4,6-9H,5H2,1-3H3/b6-4-,10-8+,12-7+
InChIKeyRCARPXFSVNEAMO-UZCNNJDPSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine (CID 123249400) is (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine is C/C=C\C=N\C(=C\Cl)C(C)CC.
What is the InChIKey of (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine?
The InChIKey is RCARPXFSVNEAMO-UZCNNJDPSA-N. The full InChI is InChI=1S/C10H16ClN/c1-4-6-7-12-10(8-11)9(3)5-2/h4,6-9H,5H2,1-3H3/b6-4-,10-8+,12-7+.
What are the key properties of (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine?
(Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine has a molecular weight of 185.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-chloro-3-methylpent-1-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 123249400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).