1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone

C10H13NO — CID 123478166

IUPAC1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
SMILESC=C(C)C1=CCCN=C1C(C)=O
InChIInChI=1S/C10H13NO/c1-7(2)9-5-4-6-11-10(9)8(3)12/h5H,1,4,6H2,2-3H3
InChIKeyNVADZAUTRSNVNZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.92
Rot. Bonds2

About 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone

1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone (PubChem CID 123478166) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
PubChem CID123478166
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
SMILESC=C(C)C1=CCCN=C1C(C)=O
InChIInChI=1S/C10H13NO/c1-7(2)9-5-4-6-11-10(9)8(3)12/h5H,1,4,6H2,2-3H3
InChIKeyNVADZAUTRSNVNZ-UHFFFAOYSA-N
XLogP1.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethylidene-3,4,5,6-tetrahydro-2-pyridinyl)ethanone
CID 45085810
2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine
CID 6429125
2h]-5,6,7,8-Tetrahydro-quinolin-8-one
CID 129745950
2,3,4,5-Tetramethyl-6-methyliminocyclohexa-2,4-dien-1-one
CID 22979278
2,9-Dihydro-1-benzazepin-6-one
CID 57031443
1-(3-methyl-4H-pyridin-4-id-2-yl)ethanone;yttrium
CID 59105231
1-(5-ethylidene-3,4-dihydro-2H-pyridin-6-yl)ethanone
CID 78409354
1-(2,3-Dihydroquinolin-2-yl)ethanone
CID 89066628
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
3,5,6,7-tetrahydro-2H-quinolin-8-one
CID 89337215
1-(5-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 91357305
5-Ethylimino-7-methyl-3-methyliminooct-6-en-4-one
CID 123159502

Frequently Asked Questions

What is the IUPAC name of 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone?
The IUPAC name of 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone (CID 123478166) is 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone.
What is the SMILES notation for 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone?
The canonical SMILES for 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone is C=C(C)C1=CCCN=C1C(C)=O.
What is the InChIKey of 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone?
The InChIKey is NVADZAUTRSNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7(2)9-5-4-6-11-10(9)8(3)12/h5H,1,4,6H2,2-3H3.
What are the key properties of 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone?
1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone is sourced from PubChem (CID 123478166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).