7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one

C12H15NO — CID 11389879

IUPAC7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one
SMILESC=C(C)C1=CCC2CC=CC(=O)N2C1
InChIInChI=1S/C12H15NO/c1-9(2)10-6-7-11-4-3-5-12(14)13(11)8-10/h3,5-6,11H,1,4,7-8H2,2H3
InChIKeyJFJIBBDSFQEHDE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds1

About 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one

7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one (PubChem CID 11389879) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one
PubChem CID11389879
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one
SMILESC=C(C)C1=CCC2CC=CC(=O)N2C1
InChIInChI=1S/C12H15NO/c1-9(2)10-6-7-11-4-3-5-12(14)13(11)8-10/h3,5-6,11H,1,4,7-8H2,2H3
InChIKeyJFJIBBDSFQEHDE-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
2-Ethylisoquinolin-3-one
CID 12435499
1-Butyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169241
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243
5-Ethyl-1-propylpyridin-2-one
CID 13169254
6-Methyl-6,7,8,9-tetrahydroquinolizin-4-one
CID 132967691
5-[2-(dimethylamino)ethyl]-3-fluoro-1-[(2S)-pent-4-en-2-yl]pyridin-2-one
CID 177938500
1-Methyl-2-prop-2-enyl-2,3-dihydropyridin-6-one
CID 10511022
4H-Quinolizin-4-one, 1,6,9,9a-tetrahydro-
CID 11446435
1-Butyl-5-methylpyridin-2-one
CID 13169251
1,4-dimethyl-2-propyl-2H-pyrrol-5-one
CID 13331590

Frequently Asked Questions

What is the IUPAC name of 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one?
The IUPAC name of 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one (CID 11389879) is 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one.
What is the SMILES notation for 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one?
The canonical SMILES for 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one is C=C(C)C1=CCC2CC=CC(=O)N2C1.
What is the InChIKey of 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one?
The InChIKey is JFJIBBDSFQEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)10-6-7-11-4-3-5-12(14)13(11)8-10/h3,5-6,11H,1,4,7-8H2,2H3.
What are the key properties of 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one?
7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one has a molecular weight of 189.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one is sourced from PubChem (CID 11389879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).