1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

C14H17N — CID 175111813

IUPAC1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCc1cccc2[nH]c3c(c12)CCCCC3
InChIInChI=1S/C14H17N/c1-10-6-5-9-13-14(10)11-7-3-2-4-8-12(11)15-13/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyOWENWURWLCRMRG-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.75
Rot. Bonds

About 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (PubChem CID 175111813) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.

Molecular Properties

Compound Name1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
PubChem CID175111813
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCc1cccc2[nH]c3c(c12)CCCCC3
InChIInChI=1S/C14H17N/c1-10-6-5-9-13-14(10)11-7-3-2-4-8-12(11)15-13/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyOWENWURWLCRMRG-UHFFFAOYSA-N
XLogP3.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The IUPAC name of 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (CID 175111813) is 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.
What is the SMILES notation for 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The canonical SMILES for 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is Cc1cccc2[nH]c3c(c12)CCCCC3.
What is the InChIKey of 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The InChIKey is OWENWURWLCRMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-10-6-5-9-13-14(10)11-7-3-2-4-8-12(11)15-13/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole has a molecular weight of 199.30 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is sourced from PubChem (CID 175111813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).