9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione

C18H26N2O5 — CID 118183525

IUPAC9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione
SMILESCCCCOc1c2n(c(COC)cc1=O)CC1(CCOC1)N(C)C2=O
InChIInChI=1S/C18H26N2O5/c1-4-5-7-25-16-14(21)9-13(10-23-3)20-11-18(6-8-24-12-18)19(2)17(22)15(16)20/h9H,4-8,10-12H2,1-3H3
InChIKeyPQVMZXKMTZBRQX-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.42
Rot. Bonds6

About 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione

9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione (PubChem CID 118183525) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione.

Molecular Properties

Compound Name9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione
PubChem CID118183525
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione
SMILESCCCCOc1c2n(c(COC)cc1=O)CC1(CCOC1)N(C)C2=O
InChIInChI=1S/C18H26N2O5/c1-4-5-7-25-16-14(21)9-13(10-23-3)20-11-18(6-8-24-12-18)19(2)17(22)15(16)20/h9H,4-8,10-12H2,1-3H3
InChIKeyPQVMZXKMTZBRQX-UHFFFAOYSA-N
XLogP1.42
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione?
The IUPAC name of 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione (CID 118183525) is 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione.
What is the SMILES notation for 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione?
The canonical SMILES for 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione is CCCCOc1c2n(c(COC)cc1=O)CC1(CCOC1)N(C)C2=O.
What is the InChIKey of 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione?
The InChIKey is PQVMZXKMTZBRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-5-7-25-16-14(21)9-13(10-23-3)20-11-18(6-8-24-12-18)19(2)17(22)15(16)20/h9H,4-8,10-12H2,1-3H3.
What are the key properties of 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione?
9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione has a molecular weight of 350.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxy-6-(methoxymethyl)-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,3'-oxolane]-1,8-dione is sourced from PubChem (CID 118183525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).