6-methyl-2,3,4,9-tetrahydrocarbazol-1-one

C13H13NO — CID 607984

IUPAC6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3=O
InChIInChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3
InChIKeyITWUGZSJDMBOPH-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.00
Rot. Bonds

About 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one

6-methyl-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 607984) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID607984
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name6-methyl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3=O
InChIInChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3
InChIKeyITWUGZSJDMBOPH-UHFFFAOYSA-N
XLogP3.00
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one (CID 607984) is 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one is Cc1ccc2[nH]c3c(c2c1)CCCC3=O.
What is the InChIKey of 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is ITWUGZSJDMBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3.
What are the key properties of 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one?
6-methyl-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 199.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 607984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).