ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate

C10H17NO3 — CID 149163256

IUPACethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=NOC)C1(C)C
InChIInChI=1S/C10H17NO3/c1-5-14-9(12)8-7(6-11-13-4)10(8,2)3/h6-8H,5H2,1-4H3
InChIKeyNIVUZQQCGDKSKH-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.45
Rot. Bonds4

About ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate

ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 149163256) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID149163256
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C=NOC)C1(C)C
InChIInChI=1S/C10H17NO3/c1-5-14-9(12)8-7(6-11-13-4)10(8,2)3/h6-8H,5H2,1-4H3
InChIKeyNIVUZQQCGDKSKH-UHFFFAOYSA-N
XLogP1.45
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
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

trans-ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 719276
trans-ethyl (1R,3S)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 86739238
ethyl 3-(2-chloroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 139939004
cis-ethyl (1S,3S)-2,2-dimethyl-3-[(E)-2-methyl-3-oxoprop-1-enyl]cyclopropane-1-carboxylate
CID 94862316
ethyl 3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 23078061
trans-ethyl (1R,3S)-3-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 95387021
ethyl 3-hexa-1,3-dienyl-2,2-dimethylcyclopropane-1-carboxylate
CID 74019557
cis-ethyl (1S,3R)-3-(2-bromo-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 151135881
trans-[(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3S)-3-[(Z)-methoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 139904625
ethyl 3-[(2,2-difluorocyclopropylidene)methyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 68746272
ethyl 3-ethoxy-2,2-dimethylcyclopropane-1-carboxylate
CID 139889591
trans-methoxymethyl (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 13272137

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 149163256) is ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate is CCOC(=O)C1C(C=NOC)C1(C)C.
What is the InChIKey of ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is NIVUZQQCGDKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-14-9(12)8-7(6-11-13-4)10(8,2)3/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate?
ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxyiminomethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 149163256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).