(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide

C11H18N2O — CID 110470176

IUPAC(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N2O/c1-2-3-11(14)12-9-6-7-13(8-9)10-4-5-10/h2-3,9-10H,4-8H2,1H3,(H,12,14)/b3-2+
InChIKeyGIYXNQGDTCCQSS-NSCUHMNNSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds3

About (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide

(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide (PubChem CID 110470176) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
PubChem CID110470176
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C11H18N2O/c1-2-3-11(14)12-9-6-7-13(8-9)10-4-5-10/h2-3,9-10H,4-8H2,1H3,(H,12,14)/b3-2+
InChIKeyGIYXNQGDTCCQSS-NSCUHMNNSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
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

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
CID 112727975
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpropanamide;dihydrochloride
CID 119864797
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide
CID 94796418
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097146
(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566680
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide?
The IUPAC name of (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide (CID 110470176) is (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide is C/C=C/C(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide?
The InChIKey is GIYXNQGDTCCQSS-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-11(14)12-9-6-7-13(8-9)10-4-5-10/h2-3,9-10H,4-8H2,1H3,(H,12,14)/b3-2+.
What are the key properties of (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide?
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide is sourced from PubChem (CID 110470176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).