(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline

C13H13N — CID 146334835

IUPAC(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline
SMILESC1=CC2Cc3ccccc3C[C@H]2N=C1
InChIInChI=1S/C13H13N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-7,12-13H,8-9H2/t12?,13-/m1/s1
InChIKeyNXYLDLACMMNERI-ZGTCLIOFSA-N
MW183.25 g/mol
LogP2.41
Rot. Bonds

About (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline

(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline (PubChem CID 146334835) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline.

Molecular Properties

Compound Name(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline
PubChem CID146334835
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline
SMILESC1=CC2Cc3ccccc3C[C@H]2N=C1
InChIInChI=1S/C13H13N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-7,12-13H,8-9H2/t12?,13-/m1/s1
InChIKeyNXYLDLACMMNERI-ZGTCLIOFSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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10-methyl-9,9a-dihydro-4aH-thioxanthen-10-ium
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methane;2-methyl-2,3-dihydro-1H-indene
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1-(2,3-dihydro-1H-inden-2-yl)thiolan-1-ium
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(7R,16S,28R,37S)-decacyclo[20.20.1.17,16.128,37.03,20.05,18.09,14.024,41.026,39.030,35]pentatetraconta-3(20),4,9,11,13,18,24(41),25,30,32,34,39-dodecaene-43,44,45-trione
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Frequently Asked Questions

What is the IUPAC name of (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline?
The IUPAC name of (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline (CID 146334835) is (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline.
What is the SMILES notation for (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline?
The canonical SMILES for (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline is C1=CC2Cc3ccccc3C[C@H]2N=C1.
What is the InChIKey of (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline?
The InChIKey is NXYLDLACMMNERI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H13N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-7,12-13H,8-9H2/t12?,13-/m1/s1.
What are the key properties of (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline?
(10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline has a molecular weight of 183.25 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-4a,5,10,10a-tetrahydrobenzo[g]quinoline is sourced from PubChem (CID 146334835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).