N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

C10H16N2O2 — CID 61251523

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O2/c1-2-9(13)11-6-5-10(14)12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13)
InChIKeyUQINYXAFFVWZJY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds4

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (PubChem CID 61251523) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
PubChem CID61251523
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O2/c1-2-9(13)11-6-5-10(14)12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13)
InChIKeyUQINYXAFFVWZJY-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide
CID 102603683
(E)-4-oxo-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]but-2-enoic acid
CID 54867615
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-oxopropyl]prop-2-enamide
CID 166405696
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
CID 166263523
4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936
N-[3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166405673
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
CID 163501732

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide (CID 61251523) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is C=CC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
The InChIKey is UQINYXAFFVWZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9(13)11-6-5-10(14)12-7-3-4-8-12/h2H,1,3-8H2,(H,11,13).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 61251523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).