N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide

C12H20N2O — CID 76994777

IUPACN-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)C1CCNC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-12(15)14(4-2)11-8-9-13-10-11/h3,5-7,11,13H,4,8-10H2,1-2H3
InChIKeyQYMTTZMELLWNNB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.33
Rot. Bonds4

About N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide

N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide (PubChem CID 76994777) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
PubChem CID76994777
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)C1CCNC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-7-12(15)14(4-2)11-8-9-13-10-11/h3,5-7,11,13H,4,8-10H2,1-2H3
InChIKeyQYMTTZMELLWNNB-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-N-pyrrolidin-3-ylbut-2-enamide
CID 63299656
(2E,4E)-N-piperidin-4-yl-N-propylhexa-2,4-dienamide
CID 54923443
methyl (E)-4-[ethyl(pyrrolidin-3-yl)amino]-4-oxobut-2-enoate
CID 165440340
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide?
The IUPAC name of N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide (CID 76994777) is N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide.
What is the SMILES notation for N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide?
The canonical SMILES for N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide is CC=CC=CC(=O)N(CC)C1CCNC1.
What is the InChIKey of N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide?
The InChIKey is QYMTTZMELLWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-7-12(15)14(4-2)11-8-9-13-10-11/h3,5-7,11,13H,4,8-10H2,1-2H3.
What are the key properties of N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide?
N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide has a molecular weight of 208.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyrrolidin-3-ylhexa-2,4-dienamide is sourced from PubChem (CID 76994777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).