1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one

C13H17NO — CID 91107048

IUPAC1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
SMILESCC(=O)CN1C(C)=C=CC2=C1CCCC2
InChIInChI=1S/C13H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15/h8H,3-6,9H2,1-2H3
InChIKeyGJKVLQRYNCUBJV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.78
Rot. Bonds2

About 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one

1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one (PubChem CID 91107048) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
PubChem CID91107048
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
SMILESCC(=O)CN1C(C)=C=CC2=C1CCCC2
InChIInChI=1S/C13H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15/h8H,3-6,9H2,1-2H3
InChIKeyGJKVLQRYNCUBJV-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one (CID 91107048) is 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one is CC(=O)CN1C(C)=C=CC2=C1CCCC2.
What is the InChIKey of 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one?
The InChIKey is GJKVLQRYNCUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-7-8-12-5-3-4-6-13(12)14(10)9-11(2)15/h8H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one?
1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one is sourced from PubChem (CID 91107048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).