(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione

C9H8N2O3 — CID 6525008

IUPAC(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione
SMILESO=C1CNC(=O)/C(=C/c2ccco2)N1
InChIInChI=1S/C9H8N2O3/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12)/b7-4-
InChIKeyPTQUYLDFHURNBC-DAXSKMNVSA-N
MW192.17 g/mol
LogP-0.13
Rot. Bonds1

About (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione

(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione (PubChem CID 6525008) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione
PubChem CID6525008
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione
SMILESO=C1CNC(=O)/C(=C/c2ccco2)N1
InChIInChI=1S/C9H8N2O3/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12)/b7-4-
InChIKeyPTQUYLDFHURNBC-DAXSKMNVSA-N
XLogP-0.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-Furyl)-N-[3-(4-morpholinyl)propyl]acrylamide
CID 2055602
2-(cinnamoylamino)-N-ethyl-3-(2-furyl)acrylamide
CID 2296037
n-Cyclopentyl-3-(furan-2-yl)acrylamide
CID 2303075
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2563667
2-(Cinnamoylamino)-3-(2-furyl)acrylamide
CID 5735297
(6R)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
CID 53305744
ethyl (E,4S)-4-[[(2S)-2-[[(Z)-2-acetamido-3-(furan-2-yl)prop-2-enoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
CID 86294796
ethyl (E,4S)-4-[[(2S)-2-[[(Z)-2-acetamido-3-(furan-2-yl)prop-2-enoyl]amino]-3,3-dimethylbutanoyl]amino]-2,5-dimethylhex-2-enoate
CID 90677168
3-(2-Furylacryloyl)glycine
CID 736024
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 2526371
(6S)-1-(furan-2-ylmethyl)-6-methylpiperazine-2,5-dione
CID 53305743
Furylacryloylglycylleucinamide
CID 73584

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione (CID 6525008) is (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione is O=C1CNC(=O)/C(=C/c2ccco2)N1.
What is the InChIKey of (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione?
The InChIKey is PTQUYLDFHURNBC-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12)/b7-4-.
What are the key properties of (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione?
(3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione has a molecular weight of 192.17 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-2-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 6525008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).