prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate

C8H13N3O3 — CID 70521278

IUPACprop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCN1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-2-6-14-8(13)11-5-3-4-10(11)7(9)12/h2H,1,3-6H2,(H2,9,12)
InChIKeyABYAWGWFCQZHFQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.31
Rot. Bonds2

About prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate

prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate (PubChem CID 70521278) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
PubChem CID70521278
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameprop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCN1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-2-6-14-8(13)11-5-3-4-10(11)7(9)12/h2H,1,3-6H2,(H2,9,12)
InChIKeyABYAWGWFCQZHFQ-UHFFFAOYSA-N
XLogP0.31
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.31
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 prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate (CID 70521278) is prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate is C=CCOC(=O)N1CCCN1C(N)=O.
What is the InChIKey of prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate?
The InChIKey is ABYAWGWFCQZHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-6-14-8(13)11-5-3-4-10(11)7(9)12/h2H,1,3-6H2,(H2,9,12).
What are the key properties of prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate?
prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate is sourced from PubChem (CID 70521278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).