methyl 1-formamidocyclopropane-1-carboxylate

C6H9NO3 — CID 45089137

IUPACmethyl 1-formamidocyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC=O)CC1
InChIInChI=1S/C6H9NO3/c1-10-5(9)6(2-3-6)7-4-8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyISBOPZBHZKPOSG-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.56
Rot. Bonds3

About methyl 1-formamidocyclopropane-1-carboxylate

methyl 1-formamidocyclopropane-1-carboxylate (PubChem CID 45089137) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 1-formamidocyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-formamidocyclopropane-1-carboxylate
PubChem CID45089137
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 1-formamidocyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC=O)CC1
InChIInChI=1S/C6H9NO3/c1-10-5(9)6(2-3-6)7-4-8/h4H,2-3H2,1H3,(H,7,8)
InChIKeyISBOPZBHZKPOSG-UHFFFAOYSA-N
XLogP-0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-formamidocyclopropane-1-carboxylate?
The IUPAC name of methyl 1-formamidocyclopropane-1-carboxylate (CID 45089137) is methyl 1-formamidocyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-formamidocyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-formamidocyclopropane-1-carboxylate is COC(=O)C1(NC=O)CC1.
What is the InChIKey of methyl 1-formamidocyclopropane-1-carboxylate?
The InChIKey is ISBOPZBHZKPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-5(9)6(2-3-6)7-4-8/h4H,2-3H2,1H3,(H,7,8).
What are the key properties of methyl 1-formamidocyclopropane-1-carboxylate?
methyl 1-formamidocyclopropane-1-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-formamidocyclopropane-1-carboxylate is sourced from PubChem (CID 45089137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).