(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione

C15H20N2O3 — CID 90245194

IUPAC(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione
SMILESCCCCOc1c2n(ccc1=O)[C@H](C)C1(CC1)NC2=O
InChIInChI=1S/C15H20N2O3/c1-3-4-9-20-13-11(18)5-8-17-10(2)15(6-7-15)16-14(19)12(13)17/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyWCGUOMUUPFGYJW-SNVBAGLBSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds4

About (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione

(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione (PubChem CID 90245194) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione.

Molecular Properties

Compound Name(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione
PubChem CID90245194
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione
SMILESCCCCOc1c2n(ccc1=O)[C@H](C)C1(CC1)NC2=O
InChIInChI=1S/C15H20N2O3/c1-3-4-9-20-13-11(18)5-8-17-10(2)15(6-7-15)16-14(19)12(13)17/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyWCGUOMUUPFGYJW-SNVBAGLBSA-N
XLogP1.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,7R)-11-butoxy-3,7-dimethyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 122485475
(8S)-8-benzhydryl-13-butoxy-5-chloro-3,6,9-triazatricyclo[7.4.0.02,6]trideca-1(13),2,4,10-tetraen-12-one
CID 130421009
3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
CID 121404102
(3R)-11-pentoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 169100207
(3S)-11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 175675069
(3R)-11-hexoxy-6-methyl-1,2,6,8-tetrazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-5,9,12-trione
CID 156704126
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
ethyl (2R,7R)-11-butoxy-7-(difluoromethyl)-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxylate
CID 121425122
3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
CID 121401640
3-butoxy-4-oxopyran-2-carboxylic acid
CID 87065598
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
CID 123782779
ethyl (3R)-9-butoxy-3-[(1R,3S)-3-methylcyclopentyl]-1,8-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
CID 90328484

Frequently Asked Questions

What is the IUPAC name of (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione?
The IUPAC name of (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione (CID 90245194) is (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione.
What is the SMILES notation for (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione?
The canonical SMILES for (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione is CCCCOc1c2n(ccc1=O)[C@H](C)C1(CC1)NC2=O.
What is the InChIKey of (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione?
The InChIKey is WCGUOMUUPFGYJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-4-9-20-13-11(18)5-8-17-10(2)15(6-7-15)16-14(19)12(13)17/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione?
(4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione has a molecular weight of 276.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-butoxy-4-methylspiro[2,4-dihydropyrido[1,2-a]pyrazine-3,1'-cyclopropane]-1,8-dione is sourced from PubChem (CID 90245194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).