butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate

C9H14N2O4 — CID 23310975

IUPACbutyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate
SMILESC=CC(=O)NNC(=O)C(=O)OCCCC
InChIInChI=1S/C9H14N2O4/c1-3-5-6-15-9(14)8(13)11-10-7(12)4-2/h4H,2-3,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyFRXLRSJHARIBTG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.34
Rot. Bonds4

About butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate

butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate (PubChem CID 23310975) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate.

Molecular Properties

Compound Namebutyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate
PubChem CID23310975
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namebutyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate
SMILESC=CC(=O)NNC(=O)C(=O)OCCCC
InChIInChI=1S/C9H14N2O4/c1-3-5-6-15-9(14)8(13)11-10-7(12)4-2/h4H,2-3,5-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyFRXLRSJHARIBTG-UHFFFAOYSA-N
XLogP-0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(methylamino)-2-oxoacetate
CID 88818995
butyl 4-(prop-2-enoylamino)butanoate
CID 170269473
butyl (2Z)-3-hydroxy-2-methylpenta-2,4-dienoate
CID 142744070
N-pentoxyprop-2-enamide
CID 174822996
butyl 2-ethoxy-2-(prop-2-enoylamino)acetate
CID 57016088
acetic acid;dibutyl (Z)-2-ethenylbut-2-enedioate
CID 174802121
butyl carbamate;prop-2-enamide
CID 174431220
butyl 2-methylprop-2-enoate;2-methylprop-1-ene;prop-2-enenitrile
CID 174821612
butyl 2-hydroxyprop-2-enoate
CID 18317140
dibutyl 2,3-di(ethylidene)butanedioate
CID 89106710
butyl 2-methylundec-2-enoate;methyl prop-2-enoate
CID 174897680
hexyl 4-(prop-2-enoylamino)butanoate
CID 170269478

Frequently Asked Questions

What is the IUPAC name of butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate?
The IUPAC name of butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate (CID 23310975) is butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate.
What is the SMILES notation for butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate?
The canonical SMILES for butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate is C=CC(=O)NNC(=O)C(=O)OCCCC.
What is the InChIKey of butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate?
The InChIKey is FRXLRSJHARIBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-5-6-15-9(14)8(13)11-10-7(12)4-2/h4H,2-3,5-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate?
butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate has a molecular weight of 214.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-oxo-2-(2-prop-2-enoylhydrazinyl)acetate is sourced from PubChem (CID 23310975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).