2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one

C12H17N3O — CID 142047984

IUPAC2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one
SMILESCC(C(=O)N1C=CNC1C)C1C=CN=CC1
InChIInChI=1S/C12H17N3O/c1-9(11-3-5-13-6-4-11)12(16)15-8-7-14-10(15)2/h3,5-11,14H,4H2,1-2H3
InChIKeyCVYCMZWOXCFRDU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.48
Rot. Bonds2

About 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one

2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one (PubChem CID 142047984) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one
PubChem CID142047984
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one
SMILESCC(C(=O)N1C=CNC1C)C1C=CN=CC1
InChIInChI=1S/C12H17N3O/c1-9(11-3-5-13-6-4-11)12(16)15-8-7-14-10(15)2/h3,5-11,14H,4H2,1-2H3
InChIKeyCVYCMZWOXCFRDU-UHFFFAOYSA-N
XLogP1.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide
CID 142047983
molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069991
N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one?
The IUPAC name of 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one (CID 142047984) is 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one?
The canonical SMILES for 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one is CC(C(=O)N1C=CNC1C)C1C=CN=CC1.
What is the InChIKey of 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one?
The InChIKey is CVYCMZWOXCFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(11-3-5-13-6-4-11)12(16)15-8-7-14-10(15)2/h3,5-11,14H,4H2,1-2H3.
What are the key properties of 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one?
2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one has a molecular weight of 219.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one is sourced from PubChem (CID 142047984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).