1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline

C13H15N — CID 67822854

IUPAC1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
SMILESC1=CC2CNCCC2c2ccccc21
InChIInChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,11,13-14H,7-9H2
InChIKeyACTXSHOKTHONRW-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.41
Rot. Bonds

About 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline

1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline (PubChem CID 67822854) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
PubChem CID67822854
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline
SMILESC1=CC2CNCCC2c2ccccc21
InChIInChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,11,13-14H,7-9H2
InChIKeyACTXSHOKTHONRW-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline?
The IUPAC name of 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline (CID 67822854) is 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline.
What is the SMILES notation for 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline?
The canonical SMILES for 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline is C1=CC2CNCCC2c2ccccc21.
What is the InChIKey of 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline?
The InChIKey is ACTXSHOKTHONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-6,11,13-14H,7-9H2.
What are the key properties of 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline?
1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline has a molecular weight of 185.27 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,10b-hexahydrobenzo[f]isoquinoline is sourced from PubChem (CID 67822854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).