3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione

C9H8N2O2 — CID 23558224

IUPAC3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
SMILESC=C1C(=O)NC2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-5,7H,1H2,(H,10,12)
InChIKeyYDZAHJORXSKPRO-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.09
Rot. Bonds

About 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione

3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 23558224) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID23558224
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
SMILESC=C1C(=O)NC2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-5,7H,1H2,(H,10,12)
InChIKeyYDZAHJORXSKPRO-UHFFFAOYSA-N
XLogP-0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
1,3-diazinane-2,4,6-trione;1H-pyridin-2-one
CID 22079480
2,3-Dihydro-1H-pyrido[1,2-a]pyrimidin-4(9aH)-one
CID 54218141
2-oxo-N-(2H-pyridin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 69760472
1,2,3,6-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70042605
1-methyl-3-(piperazine-1-carbonyl)pyridin-2(1H)-one
CID 71066842
3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one
CID 91244179
5-But-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
CID 123410516
2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
CID 130200223
1,3-Diazabicyclo[3.3.1]nona-5,7-diene-2,4-dione
CID 140399143
2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154521247

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione (CID 23558224) is 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione is C=C1C(=O)NC2C=CC=CN2C1=O.
What is the InChIKey of 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is YDZAHJORXSKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-5,7H,1H2,(H,10,12).
What are the key properties of 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione?
3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 176.17 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 23558224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).