(8aS)-2-methyl-4a,8a-dihydroquinoline

C10H11N — CID 118370097

IUPAC(8aS)-2-methyl-4a,8a-dihydroquinoline
SMILESCC1=N[C@H]2C=CC=CC2C=C1
InChIInChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7,9-10H,1H3/t9?,10-/m0/s1
InChIKeyUIZMJMVXSLODPK-AXDSSHIGSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds

About (8aS)-2-methyl-4a,8a-dihydroquinoline

(8aS)-2-methyl-4a,8a-dihydroquinoline (PubChem CID 118370097) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (8aS)-2-methyl-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name(8aS)-2-methyl-4a,8a-dihydroquinoline
PubChem CID118370097
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(8aS)-2-methyl-4a,8a-dihydroquinoline
SMILESCC1=N[C@H]2C=CC=CC2C=C1
InChIInChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7,9-10H,1H3/t9?,10-/m0/s1
InChIKeyUIZMJMVXSLODPK-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)-2-methyl-4a,8a-dihydroquinoline?
The IUPAC name of (8aS)-2-methyl-4a,8a-dihydroquinoline (CID 118370097) is (8aS)-2-methyl-4a,8a-dihydroquinoline.
What is the SMILES notation for (8aS)-2-methyl-4a,8a-dihydroquinoline?
The canonical SMILES for (8aS)-2-methyl-4a,8a-dihydroquinoline is CC1=N[C@H]2C=CC=CC2C=C1.
What is the InChIKey of (8aS)-2-methyl-4a,8a-dihydroquinoline?
The InChIKey is UIZMJMVXSLODPK-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7,9-10H,1H3/t9?,10-/m0/s1.
What are the key properties of (8aS)-2-methyl-4a,8a-dihydroquinoline?
(8aS)-2-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)-2-methyl-4a,8a-dihydroquinoline is sourced from PubChem (CID 118370097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).