3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one

C10H11NO — CID 143303962

IUPAC3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
SMILESC=CC1=C(C=C)C(=O)N(C)C1=C
InChIInChI=1S/C10H11NO/c1-5-8-7(3)11(4)10(12)9(8)6-2/h5-6H,1-3H2,4H3
InChIKeyDKSYVVORMOGDOQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.64
Rot. Bonds2

About 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one

3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one (PubChem CID 143303962) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
PubChem CID143303962
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
SMILESC=CC1=C(C=C)C(=O)N(C)C1=C
InChIInChI=1S/C10H11NO/c1-5-8-7(3)11(4)10(12)9(8)6-2/h5-6H,1-3H2,4H3
InChIKeyDKSYVVORMOGDOQ-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one?
The IUPAC name of 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one (CID 143303962) is 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one.
What is the SMILES notation for 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one?
The canonical SMILES for 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one is C=CC1=C(C=C)C(=O)N(C)C1=C.
What is the InChIKey of 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one?
The InChIKey is DKSYVVORMOGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-5-8-7(3)11(4)10(12)9(8)6-2/h5-6H,1-3H2,4H3.
What are the key properties of 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one?
3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one is sourced from PubChem (CID 143303962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).