5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol

C14H17NO — CID 10220019

IUPAC5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol
SMILESCn1c2c(c3cc(O)ccc31)CCCCC2
InChIInChI=1S/C14H17NO/c1-15-13-6-4-2-3-5-11(13)12-9-10(16)7-8-14(12)15/h7-9,16H,2-6H2,1H3
InChIKeyBAHOYABULMMMHV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.15
Rot. Bonds

About 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol

5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol (PubChem CID 10220019) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol.

Molecular Properties

Compound Name5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol
PubChem CID10220019
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol
SMILESCn1c2c(c3cc(O)ccc31)CCCCC2
InChIInChI=1S/C14H17NO/c1-15-13-6-4-2-3-5-11(13)12-9-10(16)7-8-14(12)15/h7-9,16H,2-6H2,1H3
InChIKeyBAHOYABULMMMHV-UHFFFAOYSA-N
XLogP3.15
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.15
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 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol?
The IUPAC name of 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol (CID 10220019) is 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol.
What is the SMILES notation for 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol?
The canonical SMILES for 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol is Cn1c2c(c3cc(O)ccc31)CCCCC2.
What is the InChIKey of 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol?
The InChIKey is BAHOYABULMMMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-13-6-4-2-3-5-11(13)12-9-10(16)7-8-14(12)15/h7-9,16H,2-6H2,1H3.
What are the key properties of 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol?
5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-2-ol is sourced from PubChem (CID 10220019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).