4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one

C10H13NO — CID 142586482

IUPAC4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one
SMILESC=CC1=C(C=C)N(CC)C(=O)C1
InChIInChI=1S/C10H13NO/c1-4-8-7-10(12)11(6-3)9(8)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyKTAIMHMYXVPZCG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds3

About 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one

4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one (PubChem CID 142586482) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one
PubChem CID142586482
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one
SMILESC=CC1=C(C=C)N(CC)C(=O)C1
InChIInChI=1S/C10H13NO/c1-4-8-7-10(12)11(6-3)9(8)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeyKTAIMHMYXVPZCG-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-Bis(ethenyl)-3,3-difluoro-1-methylpyrrol-2-one
CID 145617019
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CID 15129811
10-methyl-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]azepin-6-one
CID 11298275
10-Methyl-2,3,7,8-tetrahydropyrido[1,2-a]azepin-4(6h)-one
CID 11446659
4H-Quinolizin-4-one, 2,3,6,7-tetrahydro-9-methyl-
CID 45088796
1-[(E)-hept-5-enyl]-6-prop-1-en-2-yl-3,4-dihydropyridin-2-one
CID 102245924
4-cyclopenta-2,4-dien-1-ylidene-4-(dimethylamino)-N,N-dimethylbutanamide
CID 134993704
5-Ethenyl-3,3-difluoro-1-methyl-4-prop-1-en-2-ylpyrrol-2-one
CID 145414210
4-Ethenyl-1,3-diethyl-5-(1-fluoroethenyl)-3-methylpyrrol-2-one
CID 176568211
1,4,5-Trimethyl-3-methylidenepyrrol-2-one
CID 20614774
1-methyl-3-propan-2-yl-5H-cyclopenta[b]pyridin-2-one
CID 20696655
1-methyl-4,9a-dihydro-3H-1-benzazepin-2-one
CID 23198699

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one?
The IUPAC name of 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one (CID 142586482) is 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one is C=CC1=C(C=C)N(CC)C(=O)C1.
What is the InChIKey of 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one?
The InChIKey is KTAIMHMYXVPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-8-7-10(12)11(6-3)9(8)5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one?
4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-1-ethyl-3H-pyrrol-2-one is sourced from PubChem (CID 142586482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).