5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one

C12H17N3O — CID 89448132

IUPAC5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one
SMILESCCCn1cnc(CC2=CCCNC2=O)c1
InChIInChI=1S/C12H17N3O/c1-2-6-15-8-11(14-9-15)7-10-4-3-5-13-12(10)16/h4,8-9H,2-3,5-7H2,1H3,(H,13,16)
InChIKeyDHLZBXMZKDCLDW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.28
Rot. Bonds4

About 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one

5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one (PubChem CID 89448132) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one
PubChem CID89448132
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one
SMILESCCCn1cnc(CC2=CCCNC2=O)c1
InChIInChI=1S/C12H17N3O/c1-2-6-15-8-11(14-9-15)7-10-4-3-5-13-12(10)16/h4,8-9H,2-3,5-7H2,1H3,(H,13,16)
InChIKeyDHLZBXMZKDCLDW-UHFFFAOYSA-N
XLogP1.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one (CID 89448132) is 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one is CCCn1cnc(CC2=CCCNC2=O)c1.
What is the InChIKey of 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is DHLZBXMZKDCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-6-15-8-11(14-9-15)7-10-4-3-5-13-12(10)16/h4,8-9H,2-3,5-7H2,1H3,(H,13,16).
What are the key properties of 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one?
5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 89448132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).