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

C13H12N2O — CID 129365033

IUPAC(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
SMILESC[C@H](O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(16)12-6-10-9-4-2-3-5-11(9)15-13(10)7-14-12/h2-8,15-16H,1H3/t8-/m0/s1
InChIKeyDSUBZVLNKPDONN-QMMMGPOBSA-N
MW212.25 g/mol
LogP2.77
Rot. Bonds1

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

(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol (PubChem CID 129365033) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
PubChem CID129365033
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
SMILESC[C@H](O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(16)12-6-10-9-4-2-3-5-11(9)15-13(10)7-14-12/h2-8,15-16H,1H3/t8-/m0/s1
InChIKeyDSUBZVLNKPDONN-QMMMGPOBSA-N
XLogP2.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 10467488
3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
CID 77461260
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;propane-1,1-diol
CID 19846299
3-methyl-2-[2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoylamino]butanoic acid
CID 4839071
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium
CID 175029636

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol?
The IUPAC name of (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol (CID 129365033) is (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol is C[C@H](O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol?
The InChIKey is DSUBZVLNKPDONN-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8(16)12-6-10-9-4-2-3-5-11(9)15-13(10)7-14-12/h2-8,15-16H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol?
(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol has a molecular weight of 212.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol is sourced from PubChem (CID 129365033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).