N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine

C7H10ClN — CID 142076334

IUPACN-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C(C)\C=C/C
InChIInChI=1S/C7H10ClN/c1-4-5-6(2)7(8)9-3/h4-5H,3H2,1-2H3/b5-4-,7-6-
InChIKeyWPZPMCXMMQELJJ-RZSVFLSASA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine

N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine (PubChem CID 142076334) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine
PubChem CID142076334
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C(C)\C=C/C
InChIInChI=1S/C7H10ClN/c1-4-5-6(2)7(8)9-3/h4-5H,3H2,1-2H3/b5-4-,7-6-
InChIKeyWPZPMCXMMQELJJ-RZSVFLSASA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3Z)-1-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130403842
N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 162583769
N-[(1Z)-1-chloro-2-(difluoromethyl)-4-methylpenta-1,3-dienyl]methanimine
CID 172320542
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 89219458
N-(2-methylpenta-1,3-dienyl)methanimine
CID 90695569
N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 121427143
N-(9-chloro-5-methylidenedeca-1,3,6,8-tetraen-4-yl)methanimine
CID 123406859
N-(1-chloro-2-methylpenta-1,3-dienyl)methanimine
CID 123695375
N-(3-chloro-4-methylpenta-2,4-dien-2-yl)methanimine
CID 123872474
N-[(1E,3Z)-2-(chloromethyl)penta-1,3-dienyl]methanimine
CID 132195823
N-[(3E)-2-chloro-2-methylhexa-3,5-dien-3-yl]methanimine
CID 134178459

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine (CID 142076334) is N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine is C=N/C(Cl)=C(C)\C=C/C.
What is the InChIKey of N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine?
The InChIKey is WPZPMCXMMQELJJ-RZSVFLSASA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-5-6(2)7(8)9-3/h4-5H,3H2,1-2H3/b5-4-,7-6-.
What are the key properties of N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-chloro-2-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142076334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).