prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate

C14H17N3O5 — CID 3806765

IUPACprop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCN1C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H17N3O5/c1-2-8-22-14(20)17-7-4-6-16(17)12(18)10-15-13(19)11-5-3-9-21-11/h2-3,5,9H,1,4,6-8,10H2,(H,15,19)
InChIKeyJQIQGNMNALLPHT-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.78
Rot. Bonds5

About prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate

prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate (PubChem CID 3806765) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate
PubChem CID3806765
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Nameprop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCN1C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H17N3O5/c1-2-8-22-14(20)17-7-4-6-16(17)12(18)10-15-13(19)11-5-3-9-21-11/h2-3,5,9H,1,4,6-8,10H2,(H,15,19)
InChIKeyJQIQGNMNALLPHT-UHFFFAOYSA-N
XLogP0.78
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625
N-[2-oxo-2-[4-[(4-prop-2-enoxyphenyl)methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 6736612
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-(oxazinan-2-yl)-2-oxoethyl]furan-2-carboxamide
CID 113375876
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
CID 46791465
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate (CID 3806765) is prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate is C=CCOC(=O)N1CCCN1C(=O)CNC(=O)c1ccco1.
What is the InChIKey of prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate?
The InChIKey is JQIQGNMNALLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-2-8-22-14(20)17-7-4-6-16(17)12(18)10-15-13(19)11-5-3-9-21-11/h2-3,5,9H,1,4,6-8,10H2,(H,15,19).
What are the key properties of prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate?
prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[2-(furan-2-carbonylamino)acetyl]pyrazolidine-1-carboxylate is sourced from PubChem (CID 3806765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).