7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one

C13H13NO2 — CID 708536

IUPAC7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCOc1ccc2c3c([nH]c2c1)C(=O)CCC3
InChIInChI=1S/C13H13NO2/c1-16-8-5-6-9-10-3-2-4-12(15)13(10)14-11(9)7-8/h5-7,14H,2-4H2,1H3
InChIKeyKVUQFLZVUWYPGW-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.70
Rot. Bonds1

About 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one

7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 708536) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID708536
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one
SMILESCOc1ccc2c3c([nH]c2c1)C(=O)CCC3
InChIInChI=1S/C13H13NO2/c1-16-8-5-6-9-10-3-2-4-12(15)13(10)14-11(9)7-8/h5-7,14H,2-4H2,1H3
InChIKeyKVUQFLZVUWYPGW-UHFFFAOYSA-N
XLogP2.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.70
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 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one (CID 708536) is 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one is COc1ccc2c3c([nH]c2c1)C(=O)CCC3.
What is the InChIKey of 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is KVUQFLZVUWYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-8-5-6-9-10-3-2-4-12(15)13(10)14-11(9)7-8/h5-7,14H,2-4H2,1H3.
What are the key properties of 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one?
7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 708536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).