2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline

C13H18N2 — CID 143680778

IUPAC2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline
SMILESC/C=C/c1ccc(N2CCCC2)cc1N
InChIInChI=1S/C13H18N2/c1-2-5-11-6-7-12(10-13(11)14)15-8-3-4-9-15/h2,5-7,10H,3-4,8-9,14H2,1H3/b5-2+
InChIKeyJMYOEOBFVBSYPL-GORDUTHDSA-N
MW202.30 g/mol
LogP2.90
Rot. Bonds2

About 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline

2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline (PubChem CID 143680778) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline
PubChem CID143680778
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline
SMILESC/C=C/c1ccc(N2CCCC2)cc1N
InChIInChI=1S/C13H18N2/c1-2-5-11-6-7-12(10-13(11)14)15-8-3-4-9-15/h2,5-7,10H,3-4,8-9,14H2,1H3/b5-2+
InChIKeyJMYOEOBFVBSYPL-GORDUTHDSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazine
CID 168530146
1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
CID 14343976
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
2,6-diamino-4-pyrrolidin-1-ylphenol
CID 24752333
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20633114
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline?
The IUPAC name of 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline (CID 143680778) is 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline is C/C=C/c1ccc(N2CCCC2)cc1N.
What is the InChIKey of 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline?
The InChIKey is JMYOEOBFVBSYPL-GORDUTHDSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-5-11-6-7-12(10-13(11)14)15-8-3-4-9-15/h2,5-7,10H,3-4,8-9,14H2,1H3/b5-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline?
2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline has a molecular weight of 202.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 143680778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).