ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate

C7H11NO3 — CID 134961994

IUPACethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
SMILESC=C(C)/C(=N/O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-4-11-7(9)6(8-10)5(2)3/h10H,2,4H2,1,3H3/b8-6-
InChIKeyYYQINQZADNTISK-VURMDHGXSA-N
MW157.17 g/mol
LogP0.96
Rot. Bonds3

About ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate

ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate (PubChem CID 134961994) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
PubChem CID134961994
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate
SMILESC=C(C)/C(=N/O)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-4-11-7(9)6(8-10)5(2)3/h10H,2,4H2,1,3H3/b8-6-
InChIKeyYYQINQZADNTISK-VURMDHGXSA-N
XLogP0.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;diethyl 2-hydroxyiminopropanedioate
CID 6400145
ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
ethyl 2-hydroxyiminopropanoate
CID 6399798
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
diethyl 2-methyliminopropanedioate
CID 86205419
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethyl 4,4-difluoro-2,3-bis(hydroxyimino)pentanoate
CID 177343423
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate (CID 134961994) is ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate is C=C(C)/C(=N/O)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate?
The InChIKey is YYQINQZADNTISK-VURMDHGXSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-11-7(9)6(8-10)5(2)3/h10H,2,4H2,1,3H3/b8-6-.
What are the key properties of ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate?
ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate has a molecular weight of 157.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-3-methylbut-3-enoate is sourced from PubChem (CID 134961994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).