ethene;[(E)-2-oxopropylideneamino] formate

C6H9NO3 — CID 144999498

IUPACethene;[(E)-2-oxopropylideneamino] formate
SMILESC=C.CC(=O)/C=N/OC=O
InChIInChI=1S/C4H5NO3.C2H4/c1-4(7)2-5-8-3-6;1-2/h2-3H,1H3;1-2H2/b5-2+;
InChIKeyPFRGBTVEMHQHOD-DPZBITMOSA-N
MW143.14 g/mol
LogP0.54
Rot. Bonds3

About ethene;[(E)-2-oxopropylideneamino] formate

ethene;[(E)-2-oxopropylideneamino] formate (PubChem CID 144999498) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethene;[(E)-2-oxopropylideneamino] formate.

Molecular Properties

Compound Nameethene;[(E)-2-oxopropylideneamino] formate
PubChem CID144999498
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethene;[(E)-2-oxopropylideneamino] formate
SMILESC=C.CC(=O)/C=N/OC=O
InChIInChI=1S/C4H5NO3.C2H4/c1-4(7)2-5-8-3-6;1-2/h2-3H,1H3;1-2H2/b5-2+;
InChIKeyPFRGBTVEMHQHOD-DPZBITMOSA-N
XLogP0.54
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-oxopropylideneamino] acetate
CID 88532045
[(E)-(2-amino-2,4,4-trimethyl-3-oxopentylidene)amino] formate
CID 129116589
2-(2-chloroprop-1-enoxyimino)acetic acid
CID 71411487
oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
calcium;sodium;formyl acetate;hydride
CID 173454549
2-oxopropylideneurea
CID 154176026
4-[(Z)-6-[(Z)-2-oxopropylideneamino]oxyhexoxyiminomethyl]benzaldehyde
CID 91546064
N-[(E)-2-oxopropylideneamino]acetamide
CID 59676388
oxaldehydoyl 2-oxopropanoate
CID 54511142
acetyl prop-2-enoate;ethene
CID 157340658
acetic acid;ethene
CID 172797220
ethene;propan-2-one;titanium
CID 175481260

Frequently Asked Questions

What is the IUPAC name of ethene;[(E)-2-oxopropylideneamino] formate?
The IUPAC name of ethene;[(E)-2-oxopropylideneamino] formate (CID 144999498) is ethene;[(E)-2-oxopropylideneamino] formate.
What is the SMILES notation for ethene;[(E)-2-oxopropylideneamino] formate?
The canonical SMILES for ethene;[(E)-2-oxopropylideneamino] formate is C=C.CC(=O)/C=N/OC=O.
What is the InChIKey of ethene;[(E)-2-oxopropylideneamino] formate?
The InChIKey is PFRGBTVEMHQHOD-DPZBITMOSA-N. The full InChI is InChI=1S/C4H5NO3.C2H4/c1-4(7)2-5-8-3-6;1-2/h2-3H,1H3;1-2H2/b5-2+;.
What are the key properties of ethene;[(E)-2-oxopropylideneamino] formate?
ethene;[(E)-2-oxopropylideneamino] formate has a molecular weight of 143.14 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[(E)-2-oxopropylideneamino] formate is sourced from PubChem (CID 144999498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).