(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one

C10H13NO — CID 101259280

IUPAC(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one
SMILESC=CCC[C@H]1C=C(C=C)C(=O)N1
InChIInChI=1S/C10H13NO/c1-3-5-6-9-7-8(4-2)10(12)11-9/h3-4,7,9H,1-2,5-6H2,(H,11,12)/t9-/m0/s1
InChIKeyQMFFXMGANKSREH-VIFPVBQESA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds4

About (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one

(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one (PubChem CID 101259280) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one
PubChem CID101259280
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one
SMILESC=CCC[C@H]1C=C(C=C)C(=O)N1
InChIInChI=1S/C10H13NO/c1-3-5-6-9-7-8(4-2)10(12)11-9/h3-4,7,9H,1-2,5-6H2,(H,11,12)/t9-/m0/s1
InChIKeyQMFFXMGANKSREH-VIFPVBQESA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3,4-bis(but-3-enyl)azetidin-2-one
CID 138980136
4-but-3-enylcyclohexan-1-one
CID 130029411
6-but-3-enylcyclohex-2-en-1-one
CID 130026692
3-but-3-enylcyclopentan-1-one
CID 13045271
trans-(2S,5R)-2-but-3-enyl-5-methylcyclopentan-1-one
CID 86338735
4-hex-5-enyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 123369133
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
CID 89405758
5-ethenyl-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
CID 24883911
2-but-3-enyl-4-tert-butylcyclohexan-1-one
CID 13032700
5-but-3-enyl-3-methoxycyclohex-2-en-1-one
CID 12836528
(1S,4R)-6-pent-4-enyl-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 101177840
4-but-3-enyl-3-methylcyclohexan-1-one
CID 12571440

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one (CID 101259280) is (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one is C=CCC[C@H]1C=C(C=C)C(=O)N1.
What is the InChIKey of (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one?
The InChIKey is QMFFXMGANKSREH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-6-9-7-8(4-2)10(12)11-9/h3-4,7,9H,1-2,5-6H2,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one?
(2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one has a molecular weight of 163.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enyl-4-ethenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 101259280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).