N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine

C6H8ClN — CID 154656713

IUPACN-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
SMILESC=N/C(=C\C)C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-4-6(8-3)5(2)7/h4H,2-3H2,1H3/b6-4-
InChIKeyFOKLQRMFICOSLU-XQRVVYSFSA-N
MW129.59 g/mol
LogP2.34
Rot. Bonds2

About N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine

N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine (PubChem CID 154656713) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
PubChem CID154656713
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC NameN-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
SMILESC=N/C(=C\C)C(=C)Cl
InChIInChI=1S/C6H8ClN/c1-4-6(8-3)5(2)7/h4H,2-3H2,1H3/b6-4-
InChIKeyFOKLQRMFICOSLU-XQRVVYSFSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.34
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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Related Compounds

(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
CID 134360187
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
(3E)-3-chloro-2-fluoropenta-1,3-diene
CID 143057342
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
2-chloro-3-fluoroprop-1-ene;prop-1-ene
CID 87276307
(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
CID 129096112
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
methyl N'-[(E)-1-chloroprop-1-enyl]-N-methylidenecarbamimidothioate
CID 142210077
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 171811581
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623
1,1-dichloroprop-1-ene
CID 157073234

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine (CID 154656713) is N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine is C=N/C(=C\C)C(=C)Cl.
What is the InChIKey of N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine?
The InChIKey is FOKLQRMFICOSLU-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8ClN/c1-4-6(8-3)5(2)7/h4H,2-3H2,1H3/b6-4-.
What are the key properties of N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine?
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine has a molecular weight of 129.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine is sourced from PubChem (CID 154656713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).