(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine

C11H13ClN2 — CID 23279192

IUPAC(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine
SMILESClc1ccc(/C=N/N2CCCC2)cc1
InChIInChI=1S/C11H13ClN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h3-6,9H,1-2,7-8H2/b13-9+
InChIKeyKARDRCFCGMAILF-UKTHLTGXSA-N
MW208.69 g/mol
LogP2.77
Rot. Bonds2

About (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine

(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine (PubChem CID 23279192) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine
PubChem CID23279192
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine
SMILESClc1ccc(/C=N/N2CCCC2)cc1
InChIInChI=1S/C11H13ClN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h3-6,9H,1-2,7-8H2/b13-9+
InChIKeyKARDRCFCGMAILF-UKTHLTGXSA-N
XLogP2.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde, p-chloro-, dimethylhydrazone
CID 9578518
CID 256049
CID 256049
N1-(4-chlorobenzylidene)piperidin-1-amine
CID 9583571
(2E)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 5921320
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
CID 255904
N-(azepan-1-yl)-1-(4-chlorophenyl)methanimine
CID 256050
N-[(E)-(4-chlorophenyl)methylidene]-2,6-dimethylpiperidin-1-amine
CID 9587249
p-Chlorobenzylidene-butyl-amine
CID 300876
4-chlorobenzenecarbaldehyde N,N-dimethylhydrazone
CID 5374885
N-(1-Azepanyl)-N-(2,4-dichlorobenzylidene)amine
CID 9568260
1-(4-chlorophenyl)-N-piperidin-1-ylmethanimine
CID 2806319
N-[(E)-(4-chlorophenyl)methylidene]-4-methylpiperazin-1-amine
CID 6894058

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine (CID 23279192) is (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine is Clc1ccc(/C=N/N2CCCC2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine?
The InChIKey is KARDRCFCGMAILF-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h3-6,9H,1-2,7-8H2/b13-9+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine?
(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine has a molecular weight of 208.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 23279192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).