8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C12H19N3O — CID 96606998

IUPAC8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2c(c1CCCN)N(C)CC2
InChIInChI=1S/C12H19N3O/c1-9-8-11(16)15-7-6-14(2)12(15)10(9)4-3-5-13/h8H,3-7,13H2,1-2H3
InChIKeyYOTDRFQECQNXCU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.50
Rot. Bonds3

About 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 96606998) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID96606998
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2c(c1CCCN)N(C)CC2
InChIInChI=1S/C12H19N3O/c1-9-8-11(16)15-7-6-14(2)12(15)10(9)4-3-5-13/h8H,3-7,13H2,1-2H3
InChIKeyYOTDRFQECQNXCU-UHFFFAOYSA-N
XLogP0.50
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 96606998) is 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is Cc1cc(=O)n2c(c1CCCN)N(C)CC2.
What is the InChIKey of 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is YOTDRFQECQNXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-11(16)15-7-6-14(2)12(15)10(9)4-3-5-13/h8H,3-7,13H2,1-2H3.
What are the key properties of 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 221.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 96606998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).