4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one

C19H18N2O2 — CID 166365441

IUPAC4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C19H18N2O2/c22-12-13-10-18(23)21(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-20-19(15)17/h1-9,13,20,22H,10-12H2
InChIKeyOJSHBCVIAFELIQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.18
Rot. Bonds3

About 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one (PubChem CID 166365441) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
PubChem CID166365441
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2cccc3cc[nH]c23)cc1
InChIInChI=1S/C19H18N2O2/c22-12-13-10-18(23)21(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-20-19(15)17/h1-9,13,20,22H,10-12H2
InChIKeyOJSHBCVIAFELIQ-UHFFFAOYSA-N
XLogP3.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365393
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
4-(hydroxymethyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pyrrolidin-2-one
CID 166365379
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
4-(hydroxymethyl)-1-[4-[2-(hydroxymethyl)-4-methoxyphenyl]phenyl]pyrrolidin-2-one
CID 136553196
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one (CID 166365441) is 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2cccc3cc[nH]c23)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one?
The InChIKey is OJSHBCVIAFELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-12-13-10-18(23)21(11-13)16-6-4-14(5-7-16)17-3-1-2-15-8-9-20-19(15)17/h1-9,13,20,22H,10-12H2.
What are the key properties of 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166365441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).