3-(prop-2-enoylamino)pyrrolidine-1-carboxamide

C8H13N3O2 — CID 130617016

IUPAC3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
SMILESC=CC(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C8H13N3O2/c1-2-7(12)10-6-3-4-11(5-6)8(9)13/h2,6H,1,3-5H2,(H2,9,13)(H,10,12)
InChIKeyQCKOWLNBANEJRB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.56
Rot. Bonds2

About 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide

3-(prop-2-enoylamino)pyrrolidine-1-carboxamide (PubChem CID 130617016) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
PubChem CID130617016
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(prop-2-enoylamino)pyrrolidine-1-carboxamide
SMILESC=CC(=O)NC1CCN(C(N)=O)C1
InChIInChI=1S/C8H13N3O2/c1-2-7(12)10-6-3-4-11(5-6)8(9)13/h2,6H,1,3-5H2,(H2,9,13)(H,10,12)
InChIKeyQCKOWLNBANEJRB-UHFFFAOYSA-N
XLogP-0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 135183234
3-[(2,2-difluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 131036642
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
3-(dimethylcarbamoylamino)pyrrolidine-1-carboxamide
CID 131187067
N-(1-ethylpyrrolidin-3-yl)prop-2-enamide
CID 130959352
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635
N-(1-acetylazetidin-3-yl)prop-2-enamide
CID 131086103
[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
CID 155344249
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
N-cyclodecylprop-2-enamide
CID 18400354

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide (CID 130617016) is 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide is C=CC(=O)NC1CCN(C(N)=O)C1.
What is the InChIKey of 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
The InChIKey is QCKOWLNBANEJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7(12)10-6-3-4-11(5-6)8(9)13/h2,6H,1,3-5H2,(H2,9,13)(H,10,12).
What are the key properties of 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide?
3-(prop-2-enoylamino)pyrrolidine-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 130617016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).