1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one

C15H13NO2 — CID 142861766

IUPAC1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one
SMILESO=C1CC2=CCC=CC=C2N1c1ccc(O)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)16-14-5-3-1-2-4-11(14)10-15(16)18/h1,3-9,17H,2,10H2
InChIKeyFMWRNEDNTUXLFV-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.90
Rot. Bonds1

About 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one

1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one (PubChem CID 142861766) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one
PubChem CID142861766
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one
SMILESO=C1CC2=CCC=CC=C2N1c1ccc(O)cc1
InChIInChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)16-14-5-3-1-2-4-11(14)10-15(16)18/h1,3-9,17H,2,10H2
InChIKeyFMWRNEDNTUXLFV-UHFFFAOYSA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
3-(4-hydroxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60885794
(3aR,7aR)-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7035661
6,13-bis(4-hydroxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1102901
(1R,2R,6R,7R)-4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124723966
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
5,6-dibromo-2-(4-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3114403
(2R,6R,8R,12R)-4,10-bis(4-hydroxyphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 11945203
2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430852
4,10-bis(4-hydroxyphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 3104050
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one (CID 142861766) is 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one is O=C1CC2=CCC=CC=C2N1c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one?
The InChIKey is FMWRNEDNTUXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-13-8-6-12(7-9-13)16-14-5-3-1-2-4-11(14)10-15(16)18/h1,3-9,17H,2,10H2.
What are the key properties of 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one?
1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3,5-dihydrocyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 142861766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).