1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine

C15H19ClN2 — CID 3039748

IUPAC1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
SMILESC=CCCN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3,7-8,11H,1,4-6,9-10H2,2H3/b17-15+
InChIKeySDZCVWMBZRPMOR-BMRADRMJSA-N
MW262.78 g/mol
LogP4.35
Rot. Bonds4

About 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine

1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine (PubChem CID 3039748) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
PubChem CID3039748
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine
SMILESC=CCCN1CCC/C1=N\c1ccc(Cl)cc1C
InChIInChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3,7-8,11H,1,4-6,9-10H2,2H3/b17-15+
InChIKeySDZCVWMBZRPMOR-BMRADRMJSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chlordimeform
CID 22544
Chlordimeform hydrochloride
CID 12336279
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CID 44391330
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869751
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
2-Chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 12344042
N-(1-Butyl-2-pyrrolidinylidene)-4-chloro-2-methylbenzenamine
CID 213767
Pyrrolidine, 2-((2,4-dichlorophenyl)imino)-1-methyl-
CID 213784
Pyrrolidine, 1-butyl-2-((4-chloro-3-(difluoromethyl)phenyl)imino)-
CID 214733

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine (CID 3039748) is 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine is C=CCCN1CCC/C1=N\c1ccc(Cl)cc1C.
What is the InChIKey of 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
The InChIKey is SDZCVWMBZRPMOR-BMRADRMJSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-3-4-9-18-10-5-6-15(18)17-14-8-7-13(16)11-12(14)2/h3,7-8,11H,1,4-6,9-10H2,2H3/b17-15+.
What are the key properties of 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine?
1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine has a molecular weight of 262.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-N-(4-chloro-2-methylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 3039748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).