3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one

C12H10N2O2 — CID 135059722

IUPAC3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESO=c1[nH]c(CO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O2/c15-6-7-5-9-8-3-1-2-4-10(8)14-11(9)12(16)13-7/h1-5,14-15H,6H2,(H,13,16)
InChIKeyLTKUZYBKSUAZKD-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.50
Rot. Bonds1

About 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one

3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one (PubChem CID 135059722) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
PubChem CID135059722
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESO=c1[nH]c(CO)cc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2O2/c15-6-7-5-9-8-3-1-2-4-10(8)14-11(9)12(16)13-7/h1-5,14-15H,6H2,(H,13,16)
InChIKeyLTKUZYBKSUAZKD-UHFFFAOYSA-N
XLogP1.50
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
9H-carbazol-1-ylmethanol
CID 10987211
4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
CID 101095307
(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946442
(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 130269845
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
9H-carbazole
CID 66668984
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
6-iodo-5H-benzo[b]carbazole
CID 166694598
1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
CID 175910913

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one (CID 135059722) is 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one is O=c1[nH]c(CO)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is LTKUZYBKSUAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-6-7-5-9-8-3-1-2-4-10(8)14-11(9)12(16)13-7/h1-5,14-15H,6H2,(H,13,16).
What are the key properties of 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one?
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 214.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 135059722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).