1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile

C15H15N3 — CID 11064422

IUPAC1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
SMILESN#CC1(C#N)Cc2ccccc2N2CCCCC21
InChIInChI=1S/C15H15N3/c16-10-15(11-17)9-12-5-1-2-6-13(12)18-8-4-3-7-14(15)18/h1-2,5-6,14H,3-4,7-9H2
InChIKeyLEPDRWOYLDUYHW-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.64
Rot. Bonds

About 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile

1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile (PubChem CID 11064422) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile.

Molecular Properties

Compound Name1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
PubChem CID11064422
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
SMILESN#CC1(C#N)Cc2ccccc2N2CCCCC21
InChIInChI=1S/C15H15N3/c16-10-15(11-17)9-12-5-1-2-6-13(12)18-8-4-3-7-14(15)18/h1-2,5-6,14H,3-4,7-9H2
InChIKeyLEPDRWOYLDUYHW-UHFFFAOYSA-N
XLogP2.64
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile?
The IUPAC name of 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile (CID 11064422) is 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile.
What is the SMILES notation for 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile?
The canonical SMILES for 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile is N#CC1(C#N)Cc2ccccc2N2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile?
The InChIKey is LEPDRWOYLDUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-10-15(11-17)9-12-5-1-2-6-13(12)18-8-4-3-7-14(15)18/h1-2,5-6,14H,3-4,7-9H2.
What are the key properties of 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile?
1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile is sourced from PubChem (CID 11064422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).