propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate

C10H18N2O3 — CID 46910875

IUPACpropan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate
SMILESCC(C)OC(=O)/C=N/NC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-7(2)15-8(13)6-11-12-9(14)10(3,4)5/h6-7H,1-5H3,(H,12,14)/b11-6+
InChIKeyMYNWDTJWBVZNMU-IZZDOVSWSA-N
MW214.26 g/mol
LogP1.09
Rot. Bonds3

About propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate

propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate (PubChem CID 46910875) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate.

Molecular Properties

Compound Namepropan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate
PubChem CID46910875
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namepropan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate
SMILESCC(C)OC(=O)/C=N/NC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-7(2)15-8(13)6-11-12-9(14)10(3,4)5/h6-7H,1-5H3,(H,12,14)/b11-6+
InChIKeyMYNWDTJWBVZNMU-IZZDOVSWSA-N
XLogP1.09
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 101067356
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
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N-[(E)-[2-[2-(tert-butyldisulfanyl)ethylamino]-2-oxoethylidene]amino]-2,2-dimethylpropanamide
CID 88559019
propan-2-yl 3-(2,2-dimethylpropanoylamino)propanoate
CID 112723780
N-[(E)-3-aminopropylideneamino]-2,2-dimethylpropanamide;ethane
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CID 101400932
dipropan-2-yl 2-(2,2-dimethylpropylidene)propanedioate
CID 134607603
2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
propan-2-yl 2-[(1R)-1-phenylethyl]iminoacetate
CID 101214248
propan-2-yl (E)-3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 15419653
ethyl (2E)-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]hydrazinylidene]acetate
CID 89292583
propan-2-yl 3,3-difluoroprop-2-enoate
CID 14616838

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate?
The IUPAC name of propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate (CID 46910875) is propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate.
What is the SMILES notation for propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate?
The canonical SMILES for propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate is CC(C)OC(=O)/C=N/NC(=O)C(C)(C)C.
What is the InChIKey of propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate?
The InChIKey is MYNWDTJWBVZNMU-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)15-8(13)6-11-12-9(14)10(3,4)5/h6-7H,1-5H3,(H,12,14)/b11-6+.
What are the key properties of propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate?
propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2E)-2-(2,2-dimethylpropanoylhydrazinylidene)acetate is sourced from PubChem (CID 46910875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).