N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine

C20H25N3 — CID 165140425

IUPACN-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine
SMILESC=C(NCc1ccccc1)C1CCCN1C(=C)CC1=NCC=C1
InChIInChI=1S/C20H25N3/c1-16(14-19-10-6-12-21-19)23-13-7-11-20(23)17(2)22-15-18-8-4-3-5-9-18/h3-6,8-10,20,22H,1-2,7,11-15H2
InChIKeyAZUYJDDKLJZDLB-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.67
Rot. Bonds7

About N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine

N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine (PubChem CID 165140425) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine.

Molecular Properties

Compound NameN-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine
PubChem CID165140425
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine
SMILESC=C(NCc1ccccc1)C1CCCN1C(=C)CC1=NCC=C1
InChIInChI=1S/C20H25N3/c1-16(14-19-10-6-12-21-19)23-13-7-11-20(23)17(2)22-15-18-8-4-3-5-9-18/h3-6,8-10,20,22H,1-2,7,11-15H2
InChIKeyAZUYJDDKLJZDLB-UHFFFAOYSA-N
XLogP3.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;5-[2-[1-(benzylamino)ethenyl]pyrrolidin-1-yl]hexa-1,5-dien-2-amine;ethylbenzene
CID 171097489
disodium;(1Z)-4-[2-[1-(benzylamino)ethenyl]pyrrolidin-1-yl]-2-hydrazinylpenta-1,4-dien-1-amine;2-methanidylaniline
CID 165140740
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-benzyl-2-methylpiperidine-1-carbothioamide
CID 4032139
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
2-[1-[(2S)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
CID 67880360
2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
CID 15660967
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
(1Z)-4-[2-[1-[(4-fluorophenyl)methylamino]ethenyl]pyrrolidin-1-yl]-2-hydrazinylpenta-1,4-dien-1-amine;1-fluoro-2-propan-2-ylbenzene
CID 165140773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine?
The IUPAC name of N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine (CID 165140425) is N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine.
What is the SMILES notation for N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine?
The canonical SMILES for N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine is C=C(NCc1ccccc1)C1CCCN1C(=C)CC1=NCC=C1.
What is the InChIKey of N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine?
The InChIKey is AZUYJDDKLJZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-16(14-19-10-6-12-21-19)23-13-7-11-20(23)17(2)22-15-18-8-4-3-5-9-18/h3-6,8-10,20,22H,1-2,7,11-15H2.
What are the key properties of N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine?
N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine has a molecular weight of 307.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[3-(2H-pyrrol-5-yl)prop-1-en-2-yl]pyrrolidin-2-yl]ethenamine is sourced from PubChem (CID 165140425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).