(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide

C8H12N2O2 — CID 126649587

IUPAC(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)NC(=O)[C@H]1CCNC1
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-8(12)6-3-4-9-5-6/h2,6,9H,1,3-5H2,(H,10,11,12)/t6-/m0/s1
InChIKeyZFRDTZGRMVNZNG-LURJTMIESA-N
MW168.20 g/mol
LogP-0.58
Rot. Bonds2

About (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide

(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide (PubChem CID 126649587) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
PubChem CID126649587
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
SMILESC=CC(=O)NC(=O)[C@H]1CCNC1
InChIInChI=1S/C8H12N2O2/c1-2-7(11)10-8(12)6-3-4-9-5-6/h2,6,9H,1,3-5H2,(H,10,11,12)/t6-/m0/s1
InChIKeyZFRDTZGRMVNZNG-LURJTMIESA-N
XLogP-0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-acetylpyrrolidine-3-carboxamide
CID 69120322
(3S)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 94915636
N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride
CID 90460237
ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
N-hexa-1,3,5-trien-3-ylpiperidine-4-carboxamide
CID 123538587
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
N-(2-methylprop-2-enoyl)piperidine-3-carboxamide
CID 176884456
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391

Frequently Asked Questions

What is the IUPAC name of (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide (CID 126649587) is (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide is C=CC(=O)NC(=O)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide?
The InChIKey is ZFRDTZGRMVNZNG-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)10-8(12)6-3-4-9-5-6/h2,6,9H,1,3-5H2,(H,10,11,12)/t6-/m0/s1.
What are the key properties of (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide?
(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-prop-2-enoylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126649587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).