ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate

C10H17ClN2O4 — CID 123905415

IUPACethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17ClN2O4/c1-6-16-8(14)7(11)12-13(5)9(15)17-10(2,3)4/h6H2,1-5H3
InChIKeyDYXRNHHJPILCHN-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.97
Rot. Bonds3

About ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate

ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate (PubChem CID 123905415) has the molecular formula C10H17ClN2O4 and a molecular weight of 264.71 g/mol. Its IUPAC name is ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate
PubChem CID123905415
Molecular FormulaC10H17ClN2O4
Molecular Weight264.71 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17ClN2O4/c1-6-16-8(14)7(11)12-13(5)9(15)17-10(2,3)4/h6H2,1-5H3
InChIKeyDYXRNHHJPILCHN-UHFFFAOYSA-N
XLogP1.97
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
ethyl (1R)-1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 140586259
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
tert-butyl N-(3-amino-2,3-dimethylbutan-2-yl)-N-ethylcarbamate
CID 134314514
ethyl 2-chloro-2-cyclopropyliminoacetate
CID 71757834
tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
CID 173318697
4-O-tert-butyl 1-O-ethyl 2-amino-2-methyl-3-oxobutanedioate
CID 175879330
ethyl 2-[3-[2-[(2-ethoxy-2-oxoacetyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pent-4-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxoacetate
CID 135222481
ethyl 2-chloro-2-oxoacetate;hydrate
CID 174430956
ethyl (2Z)-2-[benzyl(phenyl)hydrazinylidene]-2-chloroacetate
CID 12857757
tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
CID 151133145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate (CID 123905415) is ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate is CCOC(=O)C(Cl)=NN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate?
The InChIKey is DYXRNHHJPILCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O4/c1-6-16-8(14)7(11)12-13(5)9(15)17-10(2,3)4/h6H2,1-5H3.
What are the key properties of ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate?
ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate has a molecular weight of 264.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]acetate is sourced from PubChem (CID 123905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).