ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol

C17H27NO — CID 145187913

IUPACethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
SMILESCC.CC.Cn1c2c(c3ccccc31)CC(O)CC2
InChIInChI=1S/C13H15NO.2C2H6/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14;2*1-2/h2-5,9,15H,6-8H2,1H3;2*1-2H3
InChIKeyCHSBFKDBJXNQAY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds

About ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol

ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol (PubChem CID 145187913) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol.

Molecular Properties

Compound Nameethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
PubChem CID145187913
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
SMILESCC.CC.Cn1c2c(c3ccccc31)CC(O)CC2
InChIInChI=1S/C13H15NO.2C2H6/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14;2*1-2/h2-5,9,15H,6-8H2,1H3;2*1-2H3
InChIKeyCHSBFKDBJXNQAY-UHFFFAOYSA-N
XLogP4.08
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol?
The IUPAC name of ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol (CID 145187913) is ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol.
What is the SMILES notation for ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol?
The canonical SMILES for ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol is CC.CC.Cn1c2c(c3ccccc31)CC(O)CC2.
What is the InChIKey of ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol?
The InChIKey is CHSBFKDBJXNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.2C2H6/c1-14-12-5-3-2-4-10(12)11-8-9(15)6-7-13(11)14;2*1-2/h2-5,9,15H,6-8H2,1H3;2*1-2H3.
What are the key properties of ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol?
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol has a molecular weight of 261.41 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol is sourced from PubChem (CID 145187913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).