(5S)-5-propa-1,2-dienylpyrrolidin-2-one

C7H9NO — CID 45092447

IUPAC(5S)-5-propa-1,2-dienylpyrrolidin-2-one
SMILESC=C=C[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H9NO/c1-2-3-6-4-5-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1
InChIKeyXEYSXLKRBATYDV-ZCFIWIBFSA-N
MW123.15 g/mol
LogP0.61
Rot. Bonds1

About (5S)-5-propa-1,2-dienylpyrrolidin-2-one

(5S)-5-propa-1,2-dienylpyrrolidin-2-one (PubChem CID 45092447) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (5S)-5-propa-1,2-dienylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-propa-1,2-dienylpyrrolidin-2-one
PubChem CID45092447
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(5S)-5-propa-1,2-dienylpyrrolidin-2-one
SMILESC=C=C[C@@H]1CCC(=O)N1
InChIInChI=1S/C7H9NO/c1-2-3-6-4-5-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1
InChIKeyXEYSXLKRBATYDV-ZCFIWIBFSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-propa-1,2-dienylpiperidin-2-one
CID 13286849
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
5-(214C)ethenylpyrrolidin-2-one
CID 10374431
(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
CID 142013382
2-propa-1,2-dienylcyclopentan-1-one
CID 87793811
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
2-(5-oxopyrrolidin-2-yl)propanedioic acid
CID 130664567
5-aminopyrrolidin-2-one
CID 12638466
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
5-aminopyrrolidin-2-one;hydrochloride
CID 67838433

Frequently Asked Questions

What is the IUPAC name of (5S)-5-propa-1,2-dienylpyrrolidin-2-one?
The IUPAC name of (5S)-5-propa-1,2-dienylpyrrolidin-2-one (CID 45092447) is (5S)-5-propa-1,2-dienylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-propa-1,2-dienylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-propa-1,2-dienylpyrrolidin-2-one is C=C=C[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-propa-1,2-dienylpyrrolidin-2-one?
The InChIKey is XEYSXLKRBATYDV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-3-6-4-5-7(9)8-6/h3,6H,1,4-5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of (5S)-5-propa-1,2-dienylpyrrolidin-2-one?
(5S)-5-propa-1,2-dienylpyrrolidin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propa-1,2-dienylpyrrolidin-2-one is sourced from PubChem (CID 45092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).