(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline

C13H11N — CID 134855711

IUPAC(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
SMILESC1=CC2=CC=C3C=CC=N[C@H]3[C@@H]2C=C1
InChIInChI=1S/C13H11N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9,12-13H/t12-,13-/m1/s1
InChIKeyLCLSYQXGQDBPBW-CHWSQXEVSA-N
MW181.24 g/mol
LogP2.60
Rot. Bonds

About (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline

(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline (PubChem CID 134855711) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
PubChem CID134855711
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
SMILESC1=CC2=CC=C3C=CC=N[C@H]3[C@@H]2C=C1
InChIInChI=1S/C13H11N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9,12-13H/t12-,13-/m1/s1
InChIKeyLCLSYQXGQDBPBW-CHWSQXEVSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline?
The IUPAC name of (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline (CID 134855711) is (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline.
What is the SMILES notation for (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline?
The canonical SMILES for (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline is C1=CC2=CC=C3C=CC=N[C@H]3[C@@H]2C=C1.
What is the InChIKey of (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline?
The InChIKey is LCLSYQXGQDBPBW-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H11N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9,12-13H/t12-,13-/m1/s1.
What are the key properties of (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline?
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline has a molecular weight of 181.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline is sourced from PubChem (CID 134855711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).