8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one

C13H14N2O — CID 56590972

IUPAC8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC/C=C/c1ccn2c(=O)ccnc2c1
InChIInChI=1S/C13H14N2O/c1-2-3-4-5-11-7-9-15-12(10-11)14-8-6-13(15)16/h4-10H,2-3H2,1H3/b5-4+
InChIKeyNOKFDHHZCTYQFD-SNAWJCMRSA-N
MW214.27 g/mol
LogP2.51
Rot. Bonds3

About 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one

8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56590972) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56590972
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC/C=C/c1ccn2c(=O)ccnc2c1
InChIInChI=1S/C13H14N2O/c1-2-3-4-5-11-7-9-15-12(10-11)14-8-6-13(15)16/h4-10H,2-3H2,1H3/b5-4+
InChIKeyNOKFDHHZCTYQFD-SNAWJCMRSA-N
XLogP2.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
4-hydroxy-3-(2-methylprop-1-en-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 135403901
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
2-Methoxy-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266901
2-hydroxy-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135426874

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one (CID 56590972) is 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one is CCC/C=C/c1ccn2c(=O)ccnc2c1.
What is the InChIKey of 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NOKFDHHZCTYQFD-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-3-4-5-11-7-9-15-12(10-11)14-8-6-13(15)16/h4-10H,2-3H2,1H3/b5-4+.
What are the key properties of 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one?
8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-pent-1-enyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).