2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine

C13H17N — CID 13380222

IUPAC2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESc1ccc2c(c1)CCC1CCCCN21
InChIInChI=1S/C13H17N/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13/h1-2,5,7,12H,3-4,6,8-10H2
InChIKeyBBDSHWCHKVXFOM-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.99
Rot. Bonds

About 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine

2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (PubChem CID 13380222) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
PubChem CID13380222
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
SMILESc1ccc2c(c1)CCC1CCCCN21
InChIInChI=1S/C13H17N/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13/h1-2,5,7,12H,3-4,6,8-10H2
InChIKeyBBDSHWCHKVXFOM-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The IUPAC name of 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine (CID 13380222) is 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The canonical SMILES for 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is c1ccc2c(c1)CCC1CCCCN21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
The InChIKey is BBDSHWCHKVXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13/h1-2,5,7,12H,3-4,6,8-10H2.
What are the key properties of 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine?
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine has a molecular weight of 187.29 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine is sourced from PubChem (CID 13380222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).