N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide

C8H9NO4 — CID 145069430

IUPACN-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide
SMILESC/C=C1/C(=O)OCC1N(C=O)C=O
InChIInChI=1S/C8H9NO4/c1-2-6-7(3-13-8(6)12)9(4-10)5-11/h2,4-5,7H,3H2,1H3/b6-2+
InChIKeyLCFQEDVBDFNTGA-QHHAFSJGSA-N
MW183.16 g/mol
LogP-0.53
Rot. Bonds3

About N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide

N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide (PubChem CID 145069430) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide.

Molecular Properties

Compound NameN-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide
PubChem CID145069430
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide
SMILESC/C=C1/C(=O)OCC1N(C=O)C=O
InChIInChI=1S/C8H9NO4/c1-2-6-7(3-13-8(6)12)9(4-10)5-11/h2,4-5,7H,3H2,1H3/b6-2+
InChIKeyLCFQEDVBDFNTGA-QHHAFSJGSA-N
XLogP-0.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z,4R)-4-ethenyl-3-ethylideneoxolan-2-one
CID 102379183
[(1R,4aS,5R,8aS)-5-[(2E)-2-[4-(diformylamino)-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl hydrogen sulfite
CID 145069488
3-but-2-enyl-4-ethylideneoxolane-2,5-dione
CID 123358413
N-formyl-N-(6-methylidene-2-oxopiperidin-3-yl)formamide
CID 169257703
2-[(3S)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 141354265
(3E)-3-[2-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
CID 91980716
(5S)-5-methyl-1,4-dioxane-2,3-dione
CID 10329318
3-diazo-4-methyloxolan-2-one
CID 119096395
(3S,5E)-3-amino-5-ethylideneoxolan-2-one
CID 45078781
N,N-dimethylformamide;4-ethyl-1,3-dioxolan-2-one
CID 174867976
(3aS,7Z,7aS)-7-ethylidene-6-[(1R)-1,3,3-trimethylcyclohexyl]-3,3a,4,7a-tetrahydro-2-benzofuran-1-one
CID 162992325
(3Z,4S)-3-(hydroxymethylidene)-4-phenyloxolan-2-one
CID 6339971

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide?
The IUPAC name of N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide (CID 145069430) is N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide.
What is the SMILES notation for N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide?
The canonical SMILES for N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide is C/C=C1/C(=O)OCC1N(C=O)C=O.
What is the InChIKey of N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide?
The InChIKey is LCFQEDVBDFNTGA-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H9NO4/c1-2-6-7(3-13-8(6)12)9(4-10)5-11/h2,4-5,7H,3H2,1H3/b6-2+.
What are the key properties of N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide?
N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide has a molecular weight of 183.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-ethylidene-5-oxooxolan-3-yl]-N-formylformamide is sourced from PubChem (CID 145069430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).