(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline

C10H11N — CID 137417383

IUPAC(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline
SMILESCC1=NC2=C=C=CC[C@H]2CC1
InChIInChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2,9H,4,6-7H2,1H3/t9-/m0/s1
InChIKeySLVFARSLOZGBIA-VIFPVBQESA-N
MW145.20 g/mol
LogP2.46
Rot. Bonds

About (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline

(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline (PubChem CID 137417383) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline.

Molecular Properties

Compound Name(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline
PubChem CID137417383
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline
SMILESCC1=NC2=C=C=CC[C@H]2CC1
InChIInChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2,9H,4,6-7H2,1H3/t9-/m0/s1
InChIKeySLVFARSLOZGBIA-VIFPVBQESA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline?
The IUPAC name of (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline (CID 137417383) is (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline.
What is the SMILES notation for (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline?
The canonical SMILES for (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline is CC1=NC2=C=C=CC[C@H]2CC1.
What is the InChIKey of (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline?
The InChIKey is SLVFARSLOZGBIA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2,9H,4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline?
(4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-2-methyl-3,4,4a,5-tetrahydroquinoline is sourced from PubChem (CID 137417383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).