2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C14H18N2O3 — CID 79929494

IUPAC2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCCN2C(=O)CN1CCc1ccco1
InChIInChI=1S/C14H18N2O3/c17-13-10-15(8-6-11-4-3-9-19-11)14(18)12-5-1-2-7-16(12)13/h3-4,9,12H,1-2,5-8,10H2
InChIKeyPMXAQNILARDXPD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.05
Rot. Bonds3

About 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79929494) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79929494
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CCCCN2C(=O)CN1CCc1ccco1
InChIInChI=1S/C14H18N2O3/c17-13-10-15(8-6-11-4-3-9-19-11)14(18)12-5-1-2-7-16(12)13/h3-4,9,12H,1-2,5-8,10H2
InChIKeyPMXAQNILARDXPD-UHFFFAOYSA-N
XLogP1.05
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione with MolForge

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Related Compounds

1-(2-(Furan-2-yl)-2-oxoethyl)piperidin-2-one
CID 62023366
(R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 139586174
3-(dimethylamino)-N-[2-(furan-2-yl)ethyl]piperidine-1-carboxamide
CID 56827105
1-ethyl-N-[2-(2-furyl)ethyl]piperidine-2-carboxamide
CID 74248404
N-[3-(2-furyl)propyl]-1-methylpiperidine-2-carboxamide
CID 74250434
2-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 121526608
1-[4-(2,2-Difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone
CID 136570996
ALDH3A1 inhibitor EN40
CID 126824761
1-[2-(Furan-2-yl)ethyl]piperidine-2,6-dione
CID 10655932
1-[2-(Furan-2-yl)ethyl]piperidin-4-one
CID 61472770
1-[(3R,4aR,8aR)-4-acetyl-3-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 101758272
(3S,6S)-3,6-bis(furan-2-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 146167899

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79929494) is 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is O=C1C2CCCCN2C(=O)CN1CCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is PMXAQNILARDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-10-15(8-6-11-4-3-9-19-11)14(18)12-5-1-2-7-16(12)13/h3-4,9,12H,1-2,5-8,10H2.
What are the key properties of 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79929494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).