2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone

C11H11NO2 — CID 130695751

IUPAC2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CC=CC1
InChIInChI=1S/C11H11NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h1-6,13H,7-8H2
InChIKeyGRXUHTJZUBUGDJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.40
Rot. Bonds1

About 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone

2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone (PubChem CID 130695751) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
PubChem CID130695751
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)N1CC=CC1
InChIInChI=1S/C11H11NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h1-6,13H,7-8H2
InChIKeyGRXUHTJZUBUGDJ-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 79411207
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[4-[3-(2,6-dichloro-4-hydroxyphenoxy)propoxy]phenyl]-(2,5-dihydropyrrol-1-yl)methanone
CID 139747643
[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-(2,5-dihydropyrrol-1-yl)methanone
CID 141128024
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
CID 50985068
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
CID 2451417
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119730637
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone (CID 130695751) is 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)N1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone?
The InChIKey is GRXUHTJZUBUGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h1-6,13H,7-8H2.
What are the key properties of 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone?
2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone has a molecular weight of 189.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 130695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).