prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate

C14H23N3O4 — CID 108572412

IUPACprop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-4-7-21-14(20)16-6-5-15-13(19)11-8-12(18)17(9-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,19)(H,16,20)
InChIKeyWJOYPNMQEZTAAU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.27
Rot. Bonds7

About prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate

prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate (PubChem CID 108572412) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
PubChem CID108572412
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameprop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-4-7-21-14(20)16-6-5-15-13(19)11-8-12(18)17(9-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,19)(H,16,20)
InChIKeyWJOYPNMQEZTAAU-UHFFFAOYSA-N
XLogP0.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate (CID 108572412) is prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is WJOYPNMQEZTAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-4-7-21-14(20)16-6-5-15-13(19)11-8-12(18)17(9-11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,19)(H,16,20).
What are the key properties of prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate?
prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 297.36 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 108572412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).