2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C17H26N2O2 — CID 129165426

IUPAC2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(CC1CCCCCCC1)C2
InChIInChI=1S/C17H26N2O2/c20-16-10-15-12-18(8-9-19(15)13-17(16)21)11-14-6-4-2-1-3-5-7-14/h10,13-14,21H,1-9,11-12H2
InChIKeyWLBLHHCCIBHUPL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds2

About 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165426) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165426
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(CC1CCCCCCC1)C2
InChIInChI=1S/C17H26N2O2/c20-16-10-15-12-18(8-9-19(15)13-17(16)21)11-14-6-4-2-1-3-5-7-14/h10,13-14,21H,1-9,11-12H2
InChIKeyWLBLHHCCIBHUPL-UHFFFAOYSA-N
XLogP2.73
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165426) is 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(CC1CCCCCCC1)C2.
What is the InChIKey of 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is WLBLHHCCIBHUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-10-15-12-18(8-9-19(15)13-17(16)21)11-14-6-4-2-1-3-5-7-14/h10,13-14,21H,1-9,11-12H2.
What are the key properties of 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 290.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).