[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol

C12H14N2O — CID 13375506

IUPAC[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOC[C@@H]1Cc2c([nH]c3ccccc23)CN1
InChIInChI=1S/C12H14N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-4,8,13-15H,5-7H2/t8-/m0/s1
InChIKeySLRQJRPWAKPLJN-QMMMGPOBSA-N
MW202.26 g/mol
LogP1.17
Rot. Bonds1

About [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol

[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol (PubChem CID 13375506) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
PubChem CID13375506
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
SMILESOC[C@@H]1Cc2c([nH]c3ccccc23)CN1
InChIInChI=1S/C12H14N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-4,8,13-15H,5-7H2/t8-/m0/s1
InChIKeySLRQJRPWAKPLJN-QMMMGPOBSA-N
XLogP1.17
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15573652
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
N-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 13129434
(3S)-N-[(1S,2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]cyclohexyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 122203819
(2S)-2-[[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]butanediamide
CID 67917373
methyl (2S)-4-methyl-2-[[(3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]amino]pentanoate;hydrochloride
CID 71676818
(5-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
CID 83875727
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
3-pyridin-3-yl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 159829847
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol?
The IUPAC name of [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol (CID 13375506) is [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol.
What is the SMILES notation for [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol?
The canonical SMILES for [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol is OC[C@@H]1Cc2c([nH]c3ccccc23)CN1.
What is the InChIKey of [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol?
The InChIKey is SLRQJRPWAKPLJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-4,8,13-15H,5-7H2/t8-/m0/s1.
What are the key properties of [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol?
[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol has a molecular weight of 202.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol is sourced from PubChem (CID 13375506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).