N-ethylethanamine;1-ethylpyrrole-2,5-dione

C10H18N2O2 — CID 19877873

IUPACN-ethylethanamine;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCNCC
InChIInChI=1S/C6H7NO2.C4H11N/c1-2-7-5(8)3-4-6(7)9;1-3-5-4-2/h3-4H,2H2,1H3;5H,3-4H2,1-2H3
InChIKeyMURYJVKYSHHVIE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds3

About N-ethylethanamine;1-ethylpyrrole-2,5-dione

N-ethylethanamine;1-ethylpyrrole-2,5-dione (PubChem CID 19877873) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-ethylethanamine;1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound NameN-ethylethanamine;1-ethylpyrrole-2,5-dione
PubChem CID19877873
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-ethylethanamine;1-ethylpyrrole-2,5-dione
SMILESCCN1C(=O)C=CC1=O.CCNCC
InChIInChI=1S/C6H7NO2.C4H11N/c1-2-7-5(8)3-4-6(7)9;1-3-5-4-2/h3-4H,2H2,1H3;5H,3-4H2,1-2H3
InChIKeyMURYJVKYSHHVIE-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
1-(2-aminoethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 22118207
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
1-(6-aminohexyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23054408
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 57383512
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
N-(2-Aminoethyl)maleimide
CID 2778791
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
N,N,N',N'-tetraethyl fumaramide
CID 6151773

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;1-ethylpyrrole-2,5-dione?
The IUPAC name of N-ethylethanamine;1-ethylpyrrole-2,5-dione (CID 19877873) is N-ethylethanamine;1-ethylpyrrole-2,5-dione.
What is the SMILES notation for N-ethylethanamine;1-ethylpyrrole-2,5-dione?
The canonical SMILES for N-ethylethanamine;1-ethylpyrrole-2,5-dione is CCN1C(=O)C=CC1=O.CCNCC.
What is the InChIKey of N-ethylethanamine;1-ethylpyrrole-2,5-dione?
The InChIKey is MURYJVKYSHHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C4H11N/c1-2-7-5(8)3-4-6(7)9;1-3-5-4-2/h3-4H,2H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;1-ethylpyrrole-2,5-dione?
N-ethylethanamine;1-ethylpyrrole-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 19877873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).