(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide

C10H18N2O — CID 63299656

IUPAC(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
SMILESC/C=C/C(=O)N(CC)C1CCNC1
InChIInChI=1S/C10H18N2O/c1-3-5-10(13)12(4-2)9-6-7-11-8-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+
InChIKeyXQJTYSJJAHMGNP-HWKANZROSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds3

About (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide

(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide (PubChem CID 63299656) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
PubChem CID63299656
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
SMILESC/C=C/C(=O)N(CC)C1CCNC1
InChIInChI=1S/C10H18N2O/c1-3-5-10(13)12(4-2)9-6-7-11-8-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+
InChIKeyXQJTYSJJAHMGNP-HWKANZROSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
CID 76994777
methyl (E)-4-[ethyl(pyrrolidin-3-yl)amino]-4-oxobut-2-enoate
CID 165440340
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 107176121
N-ethyl-2-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 107176120
N-ethyl-3,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide
CID 63833754
N-ethyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63637616

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide?
The IUPAC name of (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide (CID 63299656) is (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide is C/C=C/C(=O)N(CC)C1CCNC1.
What is the InChIKey of (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide?
The InChIKey is XQJTYSJJAHMGNP-HWKANZROSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-10(13)12(4-2)9-6-7-11-8-9/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide?
(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide is sourced from PubChem (CID 63299656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).