N-(2-pyrrolidin-1-ylethyl)but-3-enamide

C10H18N2O — CID 57302899

IUPACN-(2-pyrrolidin-1-ylethyl)but-3-enamide
SMILESC=CCC(=O)NCCN1CCCC1
InChIInChI=1S/C10H18N2O/c1-2-5-10(13)11-6-9-12-7-3-4-8-12/h2H,1,3-9H2,(H,11,13)
InChIKeyMFKAEIRZKGYLTR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)but-3-enamide

N-(2-pyrrolidin-1-ylethyl)but-3-enamide (PubChem CID 57302899) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)but-3-enamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)but-3-enamide
PubChem CID57302899
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2-pyrrolidin-1-ylethyl)but-3-enamide
SMILESC=CCC(=O)NCCN1CCCC1
InChIInChI=1S/C10H18N2O/c1-2-5-10(13)11-6-9-12-7-3-4-8-12/h2H,1,3-9H2,(H,11,13)
InChIKeyMFKAEIRZKGYLTR-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-pyrrolidin-1-ylethyl)but-3-enamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)but-3-enamide (CID 57302899) is N-(2-pyrrolidin-1-ylethyl)but-3-enamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)but-3-enamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)but-3-enamide is C=CCC(=O)NCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)but-3-enamide?
The InChIKey is MFKAEIRZKGYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-5-10(13)11-6-9-12-7-3-4-8-12/h2H,1,3-9H2,(H,11,13).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)but-3-enamide?
N-(2-pyrrolidin-1-ylethyl)but-3-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)but-3-enamide is sourced from PubChem (CID 57302899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).