2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine

C8H12ClN — CID 143519484

IUPAC2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine
SMILESC=C/C=C(C)\N=C\C(C)Cl
InChIInChI=1S/C8H12ClN/c1-4-5-8(3)10-6-7(2)9/h4-7H,1H2,2-3H3/b8-5-,10-6+
InChIKeyFZHIXWWCMUOZGD-YBMVAOSUSA-N
MW157.64 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine

2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine (PubChem CID 143519484) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine.

Molecular Properties

Compound Name2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine
PubChem CID143519484
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine
SMILESC=C/C=C(C)\N=C\C(C)Cl
InChIInChI=1S/C8H12ClN/c1-4-5-8(3)10-6-7(2)9/h4-7H,1H2,2-3H3/b8-5-,10-6+
InChIKeyFZHIXWWCMUOZGD-YBMVAOSUSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-chloro-N-[(1E,3Z)-1-fluoropenta-1,3-dienyl]ethanimine
CID 145515219
N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimine
CID 89899368
(Z)-N-(3-chloroprop-1-en-2-yl)but-2-en-1-imine
CID 117854311
N-[(3Z)-penta-1,3-dien-3-yl]propan-1-imine
CID 123267998
N-[(3Z)-hepta-1,3,5-trien-2-yl]propan-1-imine
CID 123396486
N-[(3E)-penta-1,3-dien-3-yl]propan-1-imine
CID 123463771
N-(1-chlorobut-2-en-2-yl)prop-2-en-1-imine
CID 123672421
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
N-[(3Z)-penta-1,3-dien-2-yl]butan-1-imine
CID 123759056
N-penta-1,3-dien-2-ylpropan-1-imine
CID 123874774
N-[(2Z)-hexa-2,4-dien-2-yl]ethanimine
CID 129261274
N-[(2E,4E)-3-chlorohexa-2,4-dien-2-yl]ethanimine
CID 130183575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine?
The IUPAC name of 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine (CID 143519484) is 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine.
What is the SMILES notation for 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine?
The canonical SMILES for 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine is C=C/C=C(C)\N=C\C(C)Cl.
What is the InChIKey of 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine?
The InChIKey is FZHIXWWCMUOZGD-YBMVAOSUSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-5-8(3)10-6-7(2)9/h4-7H,1H2,2-3H3/b8-5-,10-6+.
What are the key properties of 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine?
2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine has a molecular weight of 157.64 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2Z)-penta-2,4-dien-2-yl]propan-1-imine is sourced from PubChem (CID 143519484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).