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

C9H13NO — CID 91357305

IUPAC1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone
SMILESCCC1=CCCN=C1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h5H,3-4,6H2,1-2H3
InChIKeyREBQXKAVFDZNQM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.76
Rot. Bonds2

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

1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone (PubChem CID 91357305) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone
PubChem CID91357305
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone
SMILESCCC1=CCCN=C1C(C)=O
InChIInChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h5H,3-4,6H2,1-2H3
InChIKeyREBQXKAVFDZNQM-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.76
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
5-Butylimino-4-methylcyclohex-3-ene-1,2-dione
CID 91032762
1-(5-ethylidene-3,4-dihydro-2H-pyridin-6-yl)ethanone
CID 78409354
1-(5-Methyl-2,3-dihydropyridin-6-yl)ethanone
CID 89073500
3,5,6,7-tetrahydro-2H-quinolin-8-one
CID 89337215
(Z)-5-ethylimino-3-methylhept-2-en-4-one
CID 91558890
5-Ethylimino-7-methyl-3-methyliminooct-6-en-4-one
CID 123159502
1-(5-Prop-1-en-2-yl-2,3-dihydropyridin-6-yl)ethanone
CID 123478166
5-Methyl-3-methyliminohex-4-en-2-one
CID 123878016
7-Methyl-5-propan-2-yliminooct-6-en-3-one
CID 130433853
(Z)-4-(ethyliminomethyl)hex-4-en-2-one
CID 134560633

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone (CID 91357305) is 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone is CCC1=CCCN=C1C(C)=O.
What is the InChIKey of 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone?
The InChIKey is REBQXKAVFDZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone?
1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-dihydropyridin-6-yl)ethanone is sourced from PubChem (CID 91357305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).