ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate

C9H15NO2 — CID 103439526

IUPACethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CC1
InChIInChI=1S/C9H15NO2/c1-3-7-10-9(5-6-9)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyMUUJNTSQDNBALK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds5

About ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate

ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate (PubChem CID 103439526) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
PubChem CID103439526
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CC1
InChIInChI=1S/C9H15NO2/c1-3-7-10-9(5-6-9)8(11)12-4-2/h3,10H,1,4-7H2,2H3
InChIKeyMUUJNTSQDNBALK-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1,1-dioxo-4-(prop-2-enylamino)thiane-4-carboxylate
CID 62354104
ethyl 4-ethyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353118
ethyl 4-tert-butyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 55063384
ethyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075484
ethyl 1-methyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62976971
ethyl 1-benzyl-3-(prop-2-enylamino)pyrrolidine-3-carboxylate
CID 62353874
ethyl 2-(prop-2-enylamino)adamantane-2-carboxylate
CID 62773313
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 1-ethenylcyclopropane-1-carboxylate
CID 15179001
methyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075483

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate (CID 103439526) is ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate is C=CCNC1(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate?
The InChIKey is MUUJNTSQDNBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-10-9(5-6-9)8(11)12-4-2/h3,10H,1,4-7H2,2H3.
What are the key properties of ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate?
ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(prop-2-enylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 103439526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).