1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one

C8H14N2O — CID 143353489

IUPAC1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one
SMILESC=C[C@H](N)CN1CCCC1=O
InChIInChI=1S/C8H14N2O/c1-2-7(9)6-10-5-3-4-8(10)11/h2,7H,1,3-6,9H2/t7-/m0/s1
InChIKeyIFVYRTJAAOWMRU-ZETCQYMHSA-N
MW154.21 g/mol
LogP0.12
Rot. Bonds3

About 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one

1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one (PubChem CID 143353489) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one
PubChem CID143353489
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one
SMILESC=C[C@H](N)CN1CCCC1=O
InChIInChI=1S/C8H14N2O/c1-2-7(9)6-10-5-3-4-8(10)11/h2,7H,1,3-6,9H2/t7-/m0/s1
InChIKeyIFVYRTJAAOWMRU-ZETCQYMHSA-N
XLogP0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Aminohex-5-enoyl)pyrrolidin-2-one
CID 44371161
1-[(3R)-3-aminopyrrolidin-1-yl]pent-4-en-1-one
CID 81469778
(S)-3-(allylamino)-1-methyl-2-pyrrolidinone
CID 95365704
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-3-butenamide
CID 45182538
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pent-4-enamide
CID 71789181
N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128374
1-But-3-en-2-ylpyrrolidin-2-one
CID 22255832
N-(2-pyrrolidin-1-ylethyl)but-3-enamide
CID 57302899
3-Amino-1-prop-2-enylpyrrolidin-2-one
CID 58890809
[1-[Methyl(prop-2-enyl)amino]-1-oxopent-4-en-2-yl]azanide;praseodymium
CID 59888063
1-(3-Aminohex-5-enyl)pyrrolidin-2-one
CID 67922778
1,2-Dihydroazet-2-yl(pyrrolidin-1-yl)methanone
CID 68849603

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one (CID 143353489) is 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one is C=C[C@H](N)CN1CCCC1=O.
What is the InChIKey of 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one?
The InChIKey is IFVYRTJAAOWMRU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-7(9)6-10-5-3-4-8(10)11/h2,7H,1,3-6,9H2/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one?
1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminobut-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 143353489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).