2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

C16H21N — CID 123379512

IUPAC2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)CCC(C)C3
InChIInChI=1S/C16H21N/c1-10-5-7-14-13(8-10)16-12(3)6-4-11(2)9-15(16)17-14/h5,7-8,11-12,17H,4,6,9H2,1-3H3
InChIKeyAVALSCSNVCNEEL-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.55
Rot. Bonds

About 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole

2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (PubChem CID 123379512) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.

Molecular Properties

Compound Name2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
PubChem CID123379512
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
SMILESCc1ccc2[nH]c3c(c2c1)C(C)CCC(C)C3
InChIInChI=1S/C16H21N/c1-10-5-7-14-13(8-10)16-12(3)6-4-11(2)9-15(16)17-14/h5,7-8,11-12,17H,4,6,9H2,1-3H3
InChIKeyAVALSCSNVCNEEL-UHFFFAOYSA-N
XLogP4.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The IUPAC name of 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole (CID 123379512) is 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole.
What is the SMILES notation for 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The canonical SMILES for 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is Cc1ccc2[nH]c3c(c2c1)C(C)CCC(C)C3.
What is the InChIKey of 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
The InChIKey is AVALSCSNVCNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-10-5-7-14-13(8-10)16-12(3)6-4-11(2)9-15(16)17-14/h5,7-8,11-12,17H,4,6,9H2,1-3H3.
What are the key properties of 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole?
2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole has a molecular weight of 227.35 g/mol, XLogP of 4.55, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,10-trimethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole is sourced from PubChem (CID 123379512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).