methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate

C9H13NO4 — CID 73231611

IUPACmethyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
SMILESC=CC1CC1(NC(=O)OC)C(=O)OC
InChIInChI=1S/C9H13NO4/c1-4-6-5-9(6,7(11)13-2)10-8(12)14-3/h4,6H,1,5H2,2-3H3,(H,10,12)
InChIKeyCLCNFQRAYKGAHX-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.46
Rot. Bonds3

About methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate

methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate (PubChem CID 73231611) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
PubChem CID73231611
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
SMILESC=CC1CC1(NC(=O)OC)C(=O)OC
InChIInChI=1S/C9H13NO4/c1-4-6-5-9(6,7(11)13-2)10-8(12)14-3/h4,6H,1,5H2,2-3H3,(H,10,12)
InChIKeyCLCNFQRAYKGAHX-UHFFFAOYSA-N
XLogP0.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 22091728
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate;trans-methyl (1S,2R)-2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 91353422
trans-methyl (1R,2S)-2-ethenyl-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylate
CID 58938983
methane;methyl 2-ethenyl-1-(methoxyamino)cyclopropane-1-carboxylate
CID 143405073
trans-(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 10376443
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate
CID 59554078
ethane;trans-ethyl (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 143329843
trans-methyl (1R,2S)-2-ethenyl-1-(imidazole-1-carbonylamino)cyclopropane-1-carboxylate
CID 66742386
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
tert-butyl N-[(1S,2R)-1-acetyl-2-ethenylcyclopropyl]carbamate;cis-methyl (1R,2R)-2-ethenyl-1-(2-methoxy-2-oxoacetyl)cyclopropane-1-carboxylate
CID 91605875
methane;methyl 2-(benzylideneamino)acetate;trans-methyl (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 159332995

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate (CID 73231611) is methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate is C=CC1CC1(NC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate?
The InChIKey is CLCNFQRAYKGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-4-6-5-9(6,7(11)13-2)10-8(12)14-3/h4,6H,1,5H2,2-3H3,(H,10,12).
What are the key properties of methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate?
methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-1-(methoxycarbonylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 73231611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).