5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one

C14H13NO2 — CID 67780592

IUPAC5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one
SMILESO=C1NC(=CC2CC2)C(O)=C1c1ccccc1
InChIInChI=1S/C14H13NO2/c16-13-11(8-9-6-7-9)15-14(17)12(13)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,15,17)
InChIKeyKHVGGZXKDMOBFO-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.38
Rot. Bonds2

About 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one

5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one (PubChem CID 67780592) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one
PubChem CID67780592
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one
SMILESO=C1NC(=CC2CC2)C(O)=C1c1ccccc1
InChIInChI=1S/C14H13NO2/c16-13-11(8-9-6-7-9)15-14(17)12(13)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,15,17)
InChIKeyKHVGGZXKDMOBFO-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one?
The IUPAC name of 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one (CID 67780592) is 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one.
What is the SMILES notation for 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one?
The canonical SMILES for 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one is O=C1NC(=CC2CC2)C(O)=C1c1ccccc1.
What is the InChIKey of 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one?
The InChIKey is KHVGGZXKDMOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-11(8-9-6-7-9)15-14(17)12(13)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,15,17).
What are the key properties of 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one?
5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylidene)-4-hydroxy-3-phenylpyrrol-2-one is sourced from PubChem (CID 67780592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).