(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol

C14H17NO — CID 71051189

IUPAC(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
SMILESCC1(CO)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H17NO/c1-14(9-16)7-6-13-11(8-14)10-4-2-3-5-12(10)15-13/h2-5,15-16H,6-9H2,1H3
InChIKeyCVZDJMVIVNPUSQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds1

About (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol

(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol (PubChem CID 71051189) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
PubChem CID71051189
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
SMILESCC1(CO)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C14H17NO/c1-14(9-16)7-6-13-11(8-14)10-4-2-3-5-12(10)15-13/h2-5,15-16H,6-9H2,1H3
InChIKeyCVZDJMVIVNPUSQ-UHFFFAOYSA-N
XLogP2.66
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71054565
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91339726
(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91386996
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
CID 134909159
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
N-[[3-(3-phenylpropyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 10287683
acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
CID 22766912
[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methanol
CID 10286084

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The IUPAC name of (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol (CID 71051189) is (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol.
What is the SMILES notation for (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The canonical SMILES for (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol is CC1(CO)CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
The InChIKey is CVZDJMVIVNPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(9-16)7-6-13-11(8-14)10-4-2-3-5-12(10)15-13/h2-5,15-16H,6-9H2,1H3.
What are the key properties of (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol?
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol is sourced from PubChem (CID 71051189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).