5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one

C14H14N2O2 — CID 116828739

IUPAC5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
SMILESCc1[nH]c(-c2ccc3c(c2)CC(=O)N3)cc1CO
InChIInChI=1S/C14H14N2O2/c1-8-11(7-17)5-13(15-8)9-2-3-12-10(4-9)6-14(18)16-12/h2-5,15,17H,6-7H2,1H3,(H,16,18)
InChIKeyXTHQHYFXADXZAM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.98
Rot. Bonds2

About 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one

5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one (PubChem CID 116828739) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
PubChem CID116828739
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
SMILESCc1[nH]c(-c2ccc3c(c2)CC(=O)N3)cc1CO
InChIInChI=1S/C14H14N2O2/c1-8-11(7-17)5-13(15-8)9-2-3-12-10(4-9)6-14(18)16-12/h2-5,15,17H,6-7H2,1H3,(H,16,18)
InChIKeyXTHQHYFXADXZAM-UHFFFAOYSA-N
XLogP1.98
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175141162
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol
CID 116828806
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
CID 146227564
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110641619
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
CID 84604694

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one (CID 116828739) is 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one is Cc1[nH]c(-c2ccc3c(c2)CC(=O)N3)cc1CO.
What is the InChIKey of 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is XTHQHYFXADXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-11(7-17)5-13(15-8)9-2-3-12-10(4-9)6-14(18)16-12/h2-5,15,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one?
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116828739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).