6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile

C15H15N3 — CID 91535459

IUPAC6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile
SMILESN#Cc1cc2n(c1)C=CC1C2NC2C=CCCC21
InChIInChI=1S/C15H15N3/c16-8-10-7-14-15-12(5-6-18(14)9-10)11-3-1-2-4-13(11)17-15/h2,4-7,9,11-13,15,17H,1,3H2
InChIKeyWLLVYBWJEGDDIY-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.44
Rot. Bonds

About 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile

6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile (PubChem CID 91535459) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile.

Molecular Properties

Compound Name6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile
PubChem CID91535459
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile
SMILESN#Cc1cc2n(c1)C=CC1C2NC2C=CCCC21
InChIInChI=1S/C15H15N3/c16-8-10-7-14-15-12(5-6-18(14)9-10)11-3-1-2-4-13(11)17-15/h2,4-7,9,11-13,15,17H,1,3H2
InChIKeyWLLVYBWJEGDDIY-UHFFFAOYSA-N
XLogP2.44
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile?
The IUPAC name of 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile (CID 91535459) is 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile.
What is the SMILES notation for 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile?
The canonical SMILES for 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile is N#Cc1cc2n(c1)C=CC1C2NC2C=CCCC21.
What is the InChIKey of 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile?
The InChIKey is WLLVYBWJEGDDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-8-10-7-14-15-12(5-6-18(14)9-10)11-3-1-2-4-13(11)17-15/h2,4-7,9,11-13,15,17H,1,3H2.
What are the key properties of 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile?
6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6b,7,8,10a,11,11a-hexahydro-6aH-indolizino[8,7-b]indole-2-carbonitrile is sourced from PubChem (CID 91535459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).