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

C10H17NO2 — CID 62389482

IUPACethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCC1
InChIInChI=1S/C10H17NO2/c1-3-8-11-10(6-5-7-10)9(12)13-4-2/h3,11H,1,4-8H2,2H3
InChIKeyPJRWBXPSOOWCHK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds5

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

ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate (PubChem CID 62389482) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate
PubChem CID62389482
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate
SMILESC=CCNC1(C(=O)OCC)CCC1
InChIInChI=1S/C10H17NO2/c1-3-8-11-10(6-5-7-10)9(12)13-4-2/h3,11H,1,4-8H2,2H3
InChIKeyPJRWBXPSOOWCHK-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate (CID 62389482) is ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate is C=CCNC1(C(=O)OCC)CCC1.
What is the InChIKey of ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate?
The InChIKey is PJRWBXPSOOWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-11-10(6-5-7-10)9(12)13-4-2/h3,11H,1,4-8H2,2H3.
What are the key properties of ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate?
ethyl 1-(prop-2-enylamino)cyclobutane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.25, 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)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).