(8aS)-4-methyl-4a,8a-dihydroquinoline

C10H11N — CID 67599998

IUPAC(8aS)-4-methyl-4a,8a-dihydroquinoline
SMILESCC1=CC=N[C@H]2C=CC=CC12
InChIInChI=1S/C10H11N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7,9-10H,1H3/t9?,10-/m0/s1
InChIKeyHEKQICQMKDFNEB-AXDSSHIGSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds

About (8aS)-4-methyl-4a,8a-dihydroquinoline

(8aS)-4-methyl-4a,8a-dihydroquinoline (PubChem CID 67599998) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (8aS)-4-methyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name(8aS)-4-methyl-4a,8a-dihydroquinoline
PubChem CID67599998
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(8aS)-4-methyl-4a,8a-dihydroquinoline
SMILESCC1=CC=N[C@H]2C=CC=CC12
InChIInChI=1S/C10H11N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7,9-10H,1H3/t9?,10-/m0/s1
InChIKeyHEKQICQMKDFNEB-AXDSSHIGSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-4-methyl-4a,8a-dihydroquinoline?
The IUPAC name of (8aS)-4-methyl-4a,8a-dihydroquinoline (CID 67599998) is (8aS)-4-methyl-4a,8a-dihydroquinoline.
What is the SMILES notation for (8aS)-4-methyl-4a,8a-dihydroquinoline?
The canonical SMILES for (8aS)-4-methyl-4a,8a-dihydroquinoline is CC1=CC=N[C@H]2C=CC=CC12.
What is the InChIKey of (8aS)-4-methyl-4a,8a-dihydroquinoline?
The InChIKey is HEKQICQMKDFNEB-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7,9-10H,1H3/t9?,10-/m0/s1.
What are the key properties of (8aS)-4-methyl-4a,8a-dihydroquinoline?
(8aS)-4-methyl-4a,8a-dihydroquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-4-methyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 67599998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).