1-propyl-6,7-dihydroquinolin-5-one

C12H15NO — CID 54409466

IUPAC1-propyl-6,7-dihydroquinolin-5-one
SMILESCCCN1C=CC=C2C(=O)CCC=C21
InChIInChI=1S/C12H15NO/c1-2-8-13-9-4-5-10-11(13)6-3-7-12(10)14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyVTBRDXQCMYWNDC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.40
Rot. Bonds2

About 1-propyl-6,7-dihydroquinolin-5-one

1-propyl-6,7-dihydroquinolin-5-one (PubChem CID 54409466) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-propyl-6,7-dihydroquinolin-5-one.

Molecular Properties

Compound Name1-propyl-6,7-dihydroquinolin-5-one
PubChem CID54409466
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-propyl-6,7-dihydroquinolin-5-one
SMILESCCCN1C=CC=C2C(=O)CCC=C21
InChIInChI=1S/C12H15NO/c1-2-8-13-9-4-5-10-11(13)6-3-7-12(10)14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyVTBRDXQCMYWNDC-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-6,7-dihydroquinolin-5-one?
The IUPAC name of 1-propyl-6,7-dihydroquinolin-5-one (CID 54409466) is 1-propyl-6,7-dihydroquinolin-5-one.
What is the SMILES notation for 1-propyl-6,7-dihydroquinolin-5-one?
The canonical SMILES for 1-propyl-6,7-dihydroquinolin-5-one is CCCN1C=CC=C2C(=O)CCC=C21.
What is the InChIKey of 1-propyl-6,7-dihydroquinolin-5-one?
The InChIKey is VTBRDXQCMYWNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-8-13-9-4-5-10-11(13)6-3-7-12(10)14/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-propyl-6,7-dihydroquinolin-5-one?
1-propyl-6,7-dihydroquinolin-5-one has a molecular weight of 189.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-6,7-dihydroquinolin-5-one is sourced from PubChem (CID 54409466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).