(8aR)-3,4,4a,8a-tetrahydroquinoline

C9H11N — CID 57135717

IUPAC(8aR)-3,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CCC=N[C@@H]2C=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-9H,3,5H2/t8?,9-/m1/s1
InChIKeyJNDCUGDNXSAHQS-YGPZHTELSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About (8aR)-3,4,4a,8a-tetrahydroquinoline

(8aR)-3,4,4a,8a-tetrahydroquinoline (PubChem CID 57135717) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (8aR)-3,4,4a,8a-tetrahydroquinoline.

Molecular Properties

Compound Name(8aR)-3,4,4a,8a-tetrahydroquinoline
PubChem CID57135717
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(8aR)-3,4,4a,8a-tetrahydroquinoline
SMILESC1=CC2CCC=N[C@@H]2C=C1
InChIInChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-9H,3,5H2/t8?,9-/m1/s1
InChIKeyJNDCUGDNXSAHQS-YGPZHTELSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
3,5,6,8a-Tetrahydroquinoline
CID 90716025
3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
2-(4,6-Difluorocyclohexa-2,4-dien-1-yl)-2,3-dihydropyridine
CID 164766148
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
2,3,4,4a-Tetrahydroquinoline
CID 20394214
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899

Frequently Asked Questions

What is the IUPAC name of (8aR)-3,4,4a,8a-tetrahydroquinoline?
The IUPAC name of (8aR)-3,4,4a,8a-tetrahydroquinoline (CID 57135717) is (8aR)-3,4,4a,8a-tetrahydroquinoline.
What is the SMILES notation for (8aR)-3,4,4a,8a-tetrahydroquinoline?
The canonical SMILES for (8aR)-3,4,4a,8a-tetrahydroquinoline is C1=CC2CCC=N[C@@H]2C=C1.
What is the InChIKey of (8aR)-3,4,4a,8a-tetrahydroquinoline?
The InChIKey is JNDCUGDNXSAHQS-YGPZHTELSA-N. The full InChI is InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-9H,3,5H2/t8?,9-/m1/s1.
What are the key properties of (8aR)-3,4,4a,8a-tetrahydroquinoline?
(8aR)-3,4,4a,8a-tetrahydroquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-3,4,4a,8a-tetrahydroquinoline is sourced from PubChem (CID 57135717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).