[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate

C11H17NO4 — CID 91395086

IUPAC[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
SMILESCC(=NC(=O)OC(C)(C)C)OC(=O)C1CC1
InChIInChI=1S/C11H17NO4/c1-7(15-9(13)8-5-6-8)12-10(14)16-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyCGPQXEAEKLWXPY-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.29
Rot. Bonds1

About [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate

[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate (PubChem CID 91395086) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
PubChem CID91395086
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
SMILESCC(=NC(=O)OC(C)(C)C)OC(=O)C1CC1
InChIInChI=1S/C11H17NO4/c1-7(15-9(13)8-5-6-8)12-10(14)16-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyCGPQXEAEKLWXPY-UHFFFAOYSA-N
XLogP2.29
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
CID 139789040
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 23444208
tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
tert-butyl thiane-4-carboxylate
CID 118666343

Frequently Asked Questions

What is the IUPAC name of [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate?
The IUPAC name of [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate (CID 91395086) is [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate.
What is the SMILES notation for [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate?
The canonical SMILES for [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate is CC(=NC(=O)OC(C)(C)C)OC(=O)C1CC1.
What is the InChIKey of [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate?
The InChIKey is CGPQXEAEKLWXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-7(15-9(13)8-5-6-8)12-10(14)16-11(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate?
[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate is sourced from PubChem (CID 91395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).