2-hydrazinylpropan-2-yl 2-methylprop-2-enoate

C7H14N2O2 — CID 163490890

IUPAC2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)NN
InChIInChI=1S/C7H14N2O2/c1-5(2)6(10)11-7(3,4)9-8/h9H,1,8H2,2-4H3
InChIKeyCMNDCIVQGSFGMO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.31
Rot. Bonds3

About 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate

2-hydrazinylpropan-2-yl 2-methylprop-2-enoate (PubChem CID 163490890) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
PubChem CID163490890
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)NN
InChIInChI=1S/C7H14N2O2/c1-5(2)6(10)11-7(3,4)9-8/h9H,1,8H2,2-4H3
InChIKeyCMNDCIVQGSFGMO-UHFFFAOYSA-N
XLogP0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
1,1-bis(dihydroxyphosphinothioyl)ethyl 2-methylprop-2-enoate
CID 91322231
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
3-[1,1-bis(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropanoic acid
CID 18539506

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate (CID 163490890) is 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)NN.
What is the InChIKey of 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate?
The InChIKey is CMNDCIVQGSFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)6(10)11-7(3,4)9-8/h9H,1,8H2,2-4H3.
What are the key properties of 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate?
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 163490890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).