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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Related Compounds

(5Z)-4-hydroxy-3-phenyl-5-propylidenepyrrol-2-one
CID 67780587
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(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
CID 132917425
3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione
CID 70509691
3-(aminomethyl)-4-phenylpyrrole-2,5-dione;azane
CID 172699438
5-(4-chlorophenyl)-4-hydroxypyridine-2,3,6-trione
CID 54680720
3-phenyl-4-prop-2-enylsulfonylpyrrole-2,5-dione
CID 175375503
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
(4S)-5-acetyl-4-(2-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 787064
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
9,13-diphenylphenanthro[9,10-f]isoindole-10,12-dione
CID 134982818

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).