ethane;8-methyl-5,8-dihydrocyclohepta[b]indole

C16H19N — CID 142064594

IUPACethane;8-methyl-5,8-dihydrocyclohepta[b]indole
SMILESCC.CC1C=Cc2[nH]c3ccccc3c2C=C1
InChIInChI=1S/C14H13N.C2H6/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10;1-2/h2-10,15H,1H3;1-2H3
InChIKeyNOCDBZKPQJGQQD-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.87
Rot. Bonds

About ethane;8-methyl-5,8-dihydrocyclohepta[b]indole

ethane;8-methyl-5,8-dihydrocyclohepta[b]indole (PubChem CID 142064594) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;8-methyl-5,8-dihydrocyclohepta[b]indole.

Molecular Properties

Compound Nameethane;8-methyl-5,8-dihydrocyclohepta[b]indole
PubChem CID142064594
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Nameethane;8-methyl-5,8-dihydrocyclohepta[b]indole
SMILESCC.CC1C=Cc2[nH]c3ccccc3c2C=C1
InChIInChI=1S/C14H13N.C2H6/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10;1-2/h2-10,15H,1H3;1-2H3
InChIKeyNOCDBZKPQJGQQD-UHFFFAOYSA-N
XLogP4.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 90753385
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
5,6-bis(ethenyl)-9-methyl-9H-cyclohepta[a]naphthalene;ethane
CID 144590407
2,9-dihydro-1H-carbazol-2-ol
CID 146709603
9H-carbazole
CID 66668984
bromomethane;9H-carbazole
CID 67594562
10H-acridin-9-one;ethane
CID 91525380
4-methyl-3-(6-methylcyclohexa-2,4-dien-1-yl)-3,9-dihydrocarbazol-4-ol
CID 118449410
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-5,8-dihydrocyclohepta[b]indole?
The IUPAC name of ethane;8-methyl-5,8-dihydrocyclohepta[b]indole (CID 142064594) is ethane;8-methyl-5,8-dihydrocyclohepta[b]indole.
What is the SMILES notation for ethane;8-methyl-5,8-dihydrocyclohepta[b]indole?
The canonical SMILES for ethane;8-methyl-5,8-dihydrocyclohepta[b]indole is CC.CC1C=Cc2[nH]c3ccccc3c2C=C1.
What is the InChIKey of ethane;8-methyl-5,8-dihydrocyclohepta[b]indole?
The InChIKey is NOCDBZKPQJGQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C2H6/c1-10-6-8-12-11-4-2-3-5-13(11)15-14(12)9-7-10;1-2/h2-10,15H,1H3;1-2H3.
What are the key properties of ethane;8-methyl-5,8-dihydrocyclohepta[b]indole?
ethane;8-methyl-5,8-dihydrocyclohepta[b]indole has a molecular weight of 225.33 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-5,8-dihydrocyclohepta[b]indole is sourced from PubChem (CID 142064594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).