methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate

C9H17NO3 — CID 143405073

IUPACmethane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
SMILESC.C=CC1CC1(NOC)C(=O)OC
InChIInChI=1S/C8H13NO3.CH4/c1-4-6-5-8(6,9-12-3)7(10)11-2;/h4,6,9H,1,5H2,2-3H3;1H4
InChIKeyDSIHSEOXFJSNPG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.89
Rot. Bonds4

About methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate

methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate (PubChem CID 143405073) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
PubChem CID143405073
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
SMILESC.C=CC1CC1(NOC)C(=O)OC
InChIInChI=1S/C8H13NO3.CH4/c1-4-6-5-8(6,9-12-3)7(10)11-2;/h4,6,9H,1,5H2,2-3H3;1H4
InChIKeyDSIHSEOXFJSNPG-UHFFFAOYSA-N
XLogP0.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate?
The IUPAC name of methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate (CID 143405073) is methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate.
What is the SMILES notation for methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate?
The canonical SMILES for methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate is C.C=CC1CC1(NOC)C(=O)OC.
What is the InChIKey of methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate?
The InChIKey is DSIHSEOXFJSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.CH4/c1-4-6-5-8(6,9-12-3)7(10)11-2;/h4,6,9H,1,5H2,2-3H3;1H4.
What are the key properties of methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate?
methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 143405073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).