(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one

C9H13NO — CID 45082943

IUPAC(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one
SMILESC=CC1CN(C)C(=O)/C1=C\C
InChIInChI=1S/C9H13NO/c1-4-7-6-10(3)9(11)8(7)5-2/h4-5,7H,1,6H2,2-3H3/b8-5-
InChIKeyPIYUMVQYLDRITF-YVMONPNESA-N
MW151.21 g/mol
LogP1.21
Rot. Bonds1

About (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one

(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one (PubChem CID 45082943) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one
PubChem CID45082943
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one
SMILESC=CC1CN(C)C(=O)/C1=C\C
InChIInChI=1S/C9H13NO/c1-4-7-6-10(3)9(11)8(7)5-2/h4-5,7H,1,6H2,2-3H3/b8-5-
InChIKeyPIYUMVQYLDRITF-YVMONPNESA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one?
The IUPAC name of (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one (CID 45082943) is (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one?
The canonical SMILES for (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one is C=CC1CN(C)C(=O)/C1=C\C.
What is the InChIKey of (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one?
The InChIKey is PIYUMVQYLDRITF-YVMONPNESA-N. The full InChI is InChI=1S/C9H13NO/c1-4-7-6-10(3)9(11)8(7)5-2/h4-5,7H,1,6H2,2-3H3/b8-5-.
What are the key properties of (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one?
(3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-3-ethylidene-1-methylpyrrolidin-2-one is sourced from PubChem (CID 45082943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).