methyl N-(methylcarbamoyloxy)butanimidate

C7H14N2O3 — CID 173461577

IUPACmethyl N-(methylcarbamoyloxy)butanimidate
SMILESCCCC(=NOC(=O)NC)OC
InChIInChI=1S/C7H14N2O3/c1-4-5-6(11-3)9-12-7(10)8-2/h4-5H2,1-3H3,(H,8,10)
InChIKeyICURDPNDUXHJPM-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.10
Rot. Bonds3

About methyl N-(methylcarbamoyloxy)butanimidate

methyl N-(methylcarbamoyloxy)butanimidate (PubChem CID 173461577) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl N-(methylcarbamoyloxy)butanimidate.

Molecular Properties

Compound Namemethyl N-(methylcarbamoyloxy)butanimidate
PubChem CID173461577
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl N-(methylcarbamoyloxy)butanimidate
SMILESCCCC(=NOC(=O)NC)OC
InChIInChI=1S/C7H14N2O3/c1-4-5-6(11-3)9-12-7(10)8-2/h4-5H2,1-3H3,(H,8,10)
InChIKeyICURDPNDUXHJPM-UHFFFAOYSA-N
XLogP1.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethynyl N-(methylcarbamoyloxy)butanimidothioate
CID 173461389
(1-ethylsulfonylbutan-2-ylideneamino) N-methylcarbamate
CID 54421868
ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
[(1-ethylsulfinyl-3-methylbutan-2-ylidene)amino] N-methylcarbamate
CID 54268424
[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
CID 11435132
octyl N-(methylcarbamoyloxy)ethanimidothioate
CID 71382707
[(Z)-3-octylundecan-2-ylideneamino] N-methylcarbamate
CID 129223532
methyl N-(methylcarbamoyloxy)ethanimidothioate
CID 4109
3-bromo-2-(methylcarbamoyloxyimino)pentanoic acid
CID 57243000
ethenyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461502
[(1-ethylsulfinyl-3-methylbutylidene)amino] N-methylcarbamate
CID 173461705
methane;methyl butanoate;bis(methyl N-methylcarbamate);methyl pentanoate
CID 157299091

Frequently Asked Questions

What is the IUPAC name of methyl N-(methylcarbamoyloxy)butanimidate?
The IUPAC name of methyl N-(methylcarbamoyloxy)butanimidate (CID 173461577) is methyl N-(methylcarbamoyloxy)butanimidate.
What is the SMILES notation for methyl N-(methylcarbamoyloxy)butanimidate?
The canonical SMILES for methyl N-(methylcarbamoyloxy)butanimidate is CCCC(=NOC(=O)NC)OC.
What is the InChIKey of methyl N-(methylcarbamoyloxy)butanimidate?
The InChIKey is ICURDPNDUXHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-5-6(11-3)9-12-7(10)8-2/h4-5H2,1-3H3,(H,8,10).
What are the key properties of methyl N-(methylcarbamoyloxy)butanimidate?
methyl N-(methylcarbamoyloxy)butanimidate has a molecular weight of 174.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(methylcarbamoyloxy)butanimidate is sourced from PubChem (CID 173461577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).