(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol

C13H16N2O — CID 153493829

IUPAC(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol
SMILESNC1CCCc2c1[nH]c1ccc(CO)cc21
InChIInChI=1S/C13H16N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-6,11,15-16H,1-3,7,14H2
InChIKeyCLPTWGQJDRCACB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds1

About (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol

(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol (PubChem CID 153493829) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol.

Molecular Properties

Compound Name(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol
PubChem CID153493829
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol
SMILESNC1CCCc2c1[nH]c1ccc(CO)cc21
InChIInChI=1S/C13H16N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-6,11,15-16H,1-3,7,14H2
InChIKeyCLPTWGQJDRCACB-UHFFFAOYSA-N
XLogP2.00
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.00
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

6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 71738002
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 142652454
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
CID 146605589
6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 137385078
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
N-cyclohexyl-6-(methylaminomethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 59014607
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756

Frequently Asked Questions

What is the IUPAC name of (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol?
The IUPAC name of (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol (CID 153493829) is (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol.
What is the SMILES notation for (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol?
The canonical SMILES for (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol is NC1CCCc2c1[nH]c1ccc(CO)cc21.
What is the InChIKey of (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol?
The InChIKey is CLPTWGQJDRCACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-11-3-1-2-9-10-6-8(7-16)4-5-12(10)15-13(9)11/h4-6,11,15-16H,1-3,7,14H2.
What are the key properties of (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol?
(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol has a molecular weight of 216.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol is sourced from PubChem (CID 153493829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).