4-(2-phenylethenyl)pyrrolidin-2-one

C12H13NO — CID 154016573

IUPAC4-(2-phenylethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=Cc2ccccc2)CN1
InChIInChI=1S/C12H13NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14)
InChIKeyNBYNOZWOFQNPPE-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-phenylethenyl)pyrrolidin-2-one

4-(2-phenylethenyl)pyrrolidin-2-one (PubChem CID 154016573) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(2-phenylethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-phenylethenyl)pyrrolidin-2-one
PubChem CID154016573
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(2-phenylethenyl)pyrrolidin-2-one
SMILESO=C1CC(C=Cc2ccccc2)CN1
InChIInChI=1S/C12H13NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14)
InChIKeyNBYNOZWOFQNPPE-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethenyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-phenylethenyl)pyrrolidin-2-one (CID 154016573) is 4-(2-phenylethenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-phenylethenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-phenylethenyl)pyrrolidin-2-one is O=C1CC(C=Cc2ccccc2)CN1.
What is the InChIKey of 4-(2-phenylethenyl)pyrrolidin-2-one?
The InChIKey is NBYNOZWOFQNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-8-11(9-13-12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14).
What are the key properties of 4-(2-phenylethenyl)pyrrolidin-2-one?
4-(2-phenylethenyl)pyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethenyl)pyrrolidin-2-one is sourced from PubChem (CID 154016573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).