N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide

C10H17N3O2 — CID 70194984

IUPACN-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide
SMILESC=CC(C(=O)NCC(N)=O)N1CCCC1
InChIInChI=1S/C10H17N3O2/c1-2-8(13-5-3-4-6-13)10(15)12-7-9(11)14/h2,8H,1,3-7H2,(H2,11,14)(H,12,15)
InChIKeyYPYGSUIEHPABBA-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.76
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide

N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide (PubChem CID 70194984) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide
PubChem CID70194984
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide
SMILESC=CC(C(=O)NCC(N)=O)N1CCCC1
InChIInChI=1S/C10H17N3O2/c1-2-8(13-5-3-4-6-13)10(15)12-7-9(11)14/h2,8H,1,3-7H2,(H2,11,14)(H,12,15)
InChIKeyYPYGSUIEHPABBA-UHFFFAOYSA-N
XLogP-0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
1-[(3R)-3-aminopyrrolidin-1-yl]pent-4-en-1-one
CID 81469778
(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
N-[(2S)-but-3-en-2-yl]-3-ethyl-4-oxoimidazolidine-1-carboxamide
CID 99859406
N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128374
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
N-ethyl-1-methyl-2,5-dihydropyrrole-2-carboxamide
CID 53879855
(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 54539887
2-Butyl-5-ethenyl-3-methylimidazolidin-4-one
CID 56634733
N-(2-pyrrolidin-1-ylethyl)but-3-enamide
CID 57302899
N-ethyl-2-(propanoylamino)but-3-enamide
CID 58636331
(Z)-2-[acetyl(methyl)amino]-N-methyl-4-(methylamino)but-3-enamide
CID 59881787

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide (CID 70194984) is N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide is C=CC(C(=O)NCC(N)=O)N1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide?
The InChIKey is YPYGSUIEHPABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-8(13-5-3-4-6-13)10(15)12-7-9(11)14/h2,8H,1,3-7H2,(H2,11,14)(H,12,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide?
N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-pyrrolidin-1-ylbut-3-enamide is sourced from PubChem (CID 70194984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).