9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole

C13H11N — CID 123172961

IUPAC9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole
SMILESCN1c2cc#ccc2C2C=CC=CC21
InChIInChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6-10,12H,1H3
InChIKeyGBYHHKWOZXARAW-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.31
Rot. Bonds

About 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole

9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole (PubChem CID 123172961) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole
PubChem CID123172961
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole
SMILESCN1c2cc#ccc2C2C=CC=CC21
InChIInChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6-10,12H,1H3
InChIKeyGBYHHKWOZXARAW-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole?
The IUPAC name of 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole (CID 123172961) is 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole is CN1c2cc#ccc2C2C=CC=CC21.
What is the InChIKey of 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole?
The InChIKey is GBYHHKWOZXARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2,4,6-10,12H,1H3.
What are the key properties of 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole?
9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole has a molecular weight of 181.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7-didehydro-4a,9a-dihydrocarbazole is sourced from PubChem (CID 123172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).