3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C13H17N3O — CID 160918783

IUPAC3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC=C=NCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C13H17N3O/c1-3-14-8-7-11-10(2)15-12-6-4-5-9-16(12)13(11)17/h1,4-9H2,2H3
InChIKeySRTHVEXTSNCNQP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.29
Rot. Bonds3

About 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 160918783) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID160918783
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC=C=NCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C13H17N3O/c1-3-14-8-7-11-10(2)15-12-6-4-5-9-16(12)13(11)17/h1,4-9H2,2H3
InChIKeySRTHVEXTSNCNQP-UHFFFAOYSA-N
XLogP1.29
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
CID 526440
3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno
CID 523980
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
CID 12485602
9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
CID 2763079
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
6-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081389
7-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081390
8-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081391
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one hydrochloride
CID 15605782
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 160918783) is 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is C=C=NCCc1c(C)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SRTHVEXTSNCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-14-8-7-11-10(2)15-12-6-4-5-9-16(12)13(11)17/h1,4-9H2,2H3.
What are the key properties of 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethenylideneamino)ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160918783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).