(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride

C8H12ClN — CID 169205074

IUPAC(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C=C\CC
InChIInChI=1S/C8H12ClN/c1-3-5-6-8(9)10-7-4-2/h4-7H,3H2,1-2H3/b6-5+,7-4-,10-8-
InChIKeyCKNNMGFVOFNDKH-GADDJMOQSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds3

About (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride

(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride (PubChem CID 169205074) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride
PubChem CID169205074
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride
SMILESC/C=C\N=C(Cl)\C=C\CC
InChIInChI=1S/C8H12ClN/c1-3-5-6-8(9)10-7-4-2/h4-7H,3H2,1-2H3/b6-5+,7-4-,10-8-
InChIKeyCKNNMGFVOFNDKH-GADDJMOQSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.12
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

4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
(Z)-N-ethenylpent-3-en-2-imine
CID 58056427
N-ethenylpent-3-en-2-imine
CID 76680874
(E)-N-butan-2-ylpent-2-enimidoyl chloride
CID 88602492
(Z)-N-ethenylpent-2-en-1-imine
CID 89240738
(E)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 89351795
(Z)-N-ethenylhex-3-en-2-imine
CID 89652457
(Z)-5-chloro-N-ethenylhex-3-en-2-imine
CID 90048222
3-chloro-7-methyl-4H-azepine
CID 91274266
7-Chloro-4,4-dimethylazepine
CID 91541606
N-(4-chlorohexa-1,3,5-trienyl)hexa-1,4-dien-3-imine
CID 91608116
N-prop-1-enylbut-2-enimidoyl chloride
CID 123346450

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride?
The IUPAC name of (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride (CID 169205074) is (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride.
What is the SMILES notation for (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride?
The canonical SMILES for (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride is C/C=C\N=C(Cl)\C=C\CC.
What is the InChIKey of (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride?
The InChIKey is CKNNMGFVOFNDKH-GADDJMOQSA-N. The full InChI is InChI=1S/C8H12ClN/c1-3-5-6-8(9)10-7-4-2/h4-7H,3H2,1-2H3/b6-5+,7-4-,10-8-.
What are the key properties of (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride?
(E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-prop-1-enyl]pent-2-enimidoyl chloride is sourced from PubChem (CID 169205074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).