1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane

C10H17NO — CID 143803282

IUPAC1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane
SMILESCC.CC(=O)CC1=CC=NCC1
InChIInChI=1S/C8H11NO.C2H6/c1-7(10)6-8-2-4-9-5-3-8;1-2/h2,4H,3,5-6H2,1H3;1-2H3
InChIKeyMMBBZTWQYJQVAQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.39
Rot. Bonds2

About 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane

1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane (PubChem CID 143803282) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane
PubChem CID143803282
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane
SMILESCC.CC(=O)CC1=CC=NCC1
InChIInChI=1S/C8H11NO.C2H6/c1-7(10)6-8-2-4-9-5-3-8;1-2/h2,4H,3,5-6H2,1H3;1-2H3
InChIKeyMMBBZTWQYJQVAQ-UHFFFAOYSA-N
XLogP2.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane?
The IUPAC name of 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane (CID 143803282) is 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane.
What is the SMILES notation for 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane?
The canonical SMILES for 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane is CC.CC(=O)CC1=CC=NCC1.
What is the InChIKey of 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane?
The InChIKey is MMBBZTWQYJQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-7(10)6-8-2-4-9-5-3-8;1-2/h2,4H,3,5-6H2,1H3;1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane?
1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane has a molecular weight of 167.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-4-yl)propan-2-one;ethane is sourced from PubChem (CID 143803282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).