N-[(3S)-pyrrolidin-3-yl]but-2-enamide

C8H14N2O — CID 79688217

IUPACN-[(3S)-pyrrolidin-3-yl]but-2-enamide
SMILESCC=CC(=O)N[C@H]1CCNC1
InChIInChI=1S/C8H14N2O/c1-2-3-8(11)10-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOEMHJFRWAGXIFS-ZETCQYMHSA-N
MW154.21 g/mol
LogP0.04
Rot. Bonds2

About N-[(3S)-pyrrolidin-3-yl]but-2-enamide

N-[(3S)-pyrrolidin-3-yl]but-2-enamide (PubChem CID 79688217) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]but-2-enamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]but-2-enamide
PubChem CID79688217
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(3S)-pyrrolidin-3-yl]but-2-enamide
SMILESCC=CC(=O)N[C@H]1CCNC1
InChIInChI=1S/C8H14N2O/c1-2-3-8(11)10-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOEMHJFRWAGXIFS-ZETCQYMHSA-N
XLogP0.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.04
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

ethane;N-pyrrolidin-3-ylprop-2-enamide
CID 145096848
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
CID 163525562
2-cyclopentylidene-N-pyrrolidin-3-ylacetamide
CID 130678830
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
1-pyrrolidin-3-ylbut-2-en-1-one
CID 168664788
(E)-N-(2-methylcyclobutyl)but-2-enamide
CID 130555765

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]but-2-enamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]but-2-enamide (CID 79688217) is N-[(3S)-pyrrolidin-3-yl]but-2-enamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]but-2-enamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]but-2-enamide is CC=CC(=O)N[C@H]1CCNC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]but-2-enamide?
The InChIKey is OEMHJFRWAGXIFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-8(11)10-7-4-5-9-6-7/h2-3,7,9H,4-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]but-2-enamide?
N-[(3S)-pyrrolidin-3-yl]but-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]but-2-enamide is sourced from PubChem (CID 79688217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).