3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H23N3O2 — CID 99134467

IUPAC3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCC[C@]4(CC=CCC4)C3)c(=O)n2c1
InChIInChI=1S/C20H23N3O2/c1-15-6-7-17-21-12-16(19(25)23(17)13-15)18(24)22-11-5-10-20(14-22)8-3-2-4-9-20/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/t20-/m1/s1
InChIKeyKROYPNSYMJYYGU-HXUWFJFHSA-N
MW337.42 g/mol
LogP2.97
Rot. Bonds1

About 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 99134467) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID99134467
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCC[C@]4(CC=CCC4)C3)c(=O)n2c1
InChIInChI=1S/C20H23N3O2/c1-15-6-7-17-21-12-16(19(25)23(17)13-15)18(24)22-11-5-10-20(14-22)8-3-2-4-9-20/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/t20-/m1/s1
InChIKeyKROYPNSYMJYYGU-HXUWFJFHSA-N
XLogP2.97
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 99134467) is 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCC[C@]4(CC=CCC4)C3)c(=O)n2c1.
What is the InChIKey of 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KROYPNSYMJYYGU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-6-7-17-21-12-16(19(25)23(17)13-15)18(24)22-11-5-10-20(14-22)8-3-2-4-9-20/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/t20-/m1/s1.
What are the key properties of 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99134467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).