(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione

C11H12N2O3 — CID 177456796

IUPAC(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C/C(=C/c2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C11H12N2O3/c1-12-7-8(6-9-4-3-5-16-9)10(14)13(2)11(12)15/h3-6H,7H2,1-2H3/b8-6-
InChIKeyMPPLTTKMVBQZNJ-VURMDHGXSA-N
MW220.23 g/mol
LogP1.19
Rot. Bonds1

About (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione

(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 177456796) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
PubChem CID177456796
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
SMILESCN1C/C(=C/c2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C11H12N2O3/c1-12-7-8(6-9-4-3-5-16-9)10(14)13(2)11(12)15/h3-6H,7H2,1-2H3/b8-6-
InChIKeyMPPLTTKMVBQZNJ-VURMDHGXSA-N
XLogP1.19
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(furan-2-ylmethylidene)-1-methylpiperidin-4-one
CID 717827
5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1491241
5-(furan-2-ylmethylidene)-1,2,2,3-tetramethyl-1,3-diazinane-4,6-dione
CID 137477472
(1S,3Z,5S,7E)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 2261789
(2Z)-2-(furan-2-ylmethylidene)cyclooctan-1-one
CID 177443971
(1R,3Z,5R)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 933207
(3Z,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 5342343
(3E)-1-benzyl-3,5-bis(furan-2-ylmethylidene)piperidin-4-one
CID 6938019
3-[[(5E)-5-(furan-2-ylmethylidene)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6023947
(5E)-2-amino-5-(furan-2-ylmethylidene)-1-methylimidazol-4-one
CID 15210890
(2E,5E)-5-(furan-2-ylmethylidene)-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844230
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 9486062

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione (CID 177456796) is (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione is CN1C/C(=C/c2ccco2)C(=O)N(C)C1=O.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is MPPLTTKMVBQZNJ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12-7-8(6-9-4-3-5-16-9)10(14)13(2)11(12)15/h3-6H,7H2,1-2H3/b8-6-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione?
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177456796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).