7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one

C13H12ClNO — CID 84741031

IUPAC7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1c(Cl)ccc2c3c([nH]c12)CCCC3=O
InChIInChI=1S/C13H12ClNO/c1-7-9(14)6-5-8-12-10(15-13(7)8)3-2-4-11(12)16/h5-6,15H,2-4H2,1H3
InChIKeyJOSPPGIQPPRJQQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.65
Rot. Bonds

About 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one

7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one (PubChem CID 84741031) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one.

Molecular Properties

Compound Name7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one
PubChem CID84741031
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one
SMILESCc1c(Cl)ccc2c3c([nH]c12)CCCC3=O
InChIInChI=1S/C13H12ClNO/c1-7-9(14)6-5-8-12-10(15-13(7)8)3-2-4-11(12)16/h5-6,15H,2-4H2,1H3
InChIKeyJOSPPGIQPPRJQQ-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The IUPAC name of 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one (CID 84741031) is 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one.
What is the SMILES notation for 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The canonical SMILES for 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one is Cc1c(Cl)ccc2c3c([nH]c12)CCCC3=O.
What is the InChIKey of 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
The InChIKey is JOSPPGIQPPRJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-7-9(14)6-5-8-12-10(15-13(7)8)3-2-4-11(12)16/h5-6,15H,2-4H2,1H3.
What are the key properties of 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one?
7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one has a molecular weight of 233.70 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-1,2,3,9-tetrahydrocarbazol-4-one is sourced from PubChem (CID 84741031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).