2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole

C14H16N2 — CID 87803466

IUPAC2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole
SMILESC1=CCc2c3c([nH]c2=C1)=C1CCCN1CC3
InChIInChI=1S/C14H16N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,5,15H,3-4,6-9H2
InChIKeyLINUWAVZLXQJKN-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.67
Rot. Bonds

About 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole

2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole (PubChem CID 87803466) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole.

Molecular Properties

Compound Name2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole
PubChem CID87803466
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole
SMILESC1=CCc2c3c([nH]c2=C1)=C1CCCN1CC3
InChIInChI=1S/C14H16N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,5,15H,3-4,6-9H2
InChIKeyLINUWAVZLXQJKN-UHFFFAOYSA-N
XLogP0.67
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole?
The IUPAC name of 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole (CID 87803466) is 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole.
What is the SMILES notation for 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole?
The canonical SMILES for 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole is C1=CCc2c3c([nH]c2=C1)=C1CCCN1CC3.
What is the InChIKey of 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole?
The InChIKey is LINUWAVZLXQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12/h1-2,5,15H,3-4,6-9H2.
What are the key properties of 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole?
2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole has a molecular weight of 212.30 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,11-hexahydro-1H-indolizino[8,7-b]indole is sourced from PubChem (CID 87803466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).