5-methyl-6,7-didehydro-8H-cyclohepta[b]indole

C14H11N — CID 146531987

IUPAC5-methyl-6,7-didehydro-8H-cyclohepta[b]indole
SMILESCn1c2c(c3ccccc31)C=CCC#C2
InChIInChI=1S/C14H11N/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h3,5-8,10H,2H2,1H3
InChIKeyQBBSKFBZNIAHGK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.95
Rot. Bonds

About 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole

5-methyl-6,7-didehydro-8H-cyclohepta[b]indole (PubChem CID 146531987) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-methyl-6,7-didehydro-8H-cyclohepta[b]indole
PubChem CID146531987
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name5-methyl-6,7-didehydro-8H-cyclohepta[b]indole
SMILESCn1c2c(c3ccccc31)C=CCC#C2
InChIInChI=1S/C14H11N/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h3,5-8,10H,2H2,1H3
InChIKeyQBBSKFBZNIAHGK-UHFFFAOYSA-N
XLogP2.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-methyl-2H-thiopyrano[2,3-b]indole
CID 175258385
18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
CID 145265092
ethane;bis(9-methylcarbazole)
CID 159710949
5-[3-[2-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylphenyl]-6,7-didehydro-8H-cyclohepta[b]indole
CID 167251927
ethane;9-methylcarbazole;triphenylene
CID 142356751
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
(5Z)-7-methyl-1,2,3,4-tetrahydroazocino[5,4-b]indole
CID 132918732
(9-methylcarbazol-3-yl)-diphenylphosphane
CID 150524387
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
5-methylphenanthridine-6-thione
CID 71374474
9-methyl-1,2-dihydropyrimido[4,5-b]indole
CID 151226131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole?
The IUPAC name of 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole (CID 146531987) is 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole.
What is the SMILES notation for 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole?
The canonical SMILES for 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole is Cn1c2c(c3ccccc31)C=CCC#C2.
What is the InChIKey of 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole?
The InChIKey is QBBSKFBZNIAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-15-13-9-4-2-3-7-11(13)12-8-5-6-10-14(12)15/h3,5-8,10H,2H2,1H3.
What are the key properties of 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole?
5-methyl-6,7-didehydro-8H-cyclohepta[b]indole has a molecular weight of 193.25 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-didehydro-8H-cyclohepta[b]indole is sourced from PubChem (CID 146531987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).