1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione

C9H15N3O2 — CID 118890992

IUPAC1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione
SMILESCN(CCN)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c1-11(5-4-10)6-7-12-8(13)2-3-9(12)14/h2-3H,4-7,10H2,1H3
InChIKeyIMRVRAAFUBPGSC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.20
Rot. Bonds5

About 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione

1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione (PubChem CID 118890992) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione
PubChem CID118890992
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione
SMILESCN(CCN)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c1-11(5-4-10)6-7-12-8(13)2-3-9(12)14/h2-3H,4-7,10H2,1H3
InChIKeyIMRVRAAFUBPGSC-UHFFFAOYSA-N
XLogP-1.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethylenebismaleimide
CID 237509
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
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-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 57383512
2-(2-Oxo-2,5-dihydro-1H-pyrrol-1-yl)acetamide
CID 44825265
N-(2-Aminoethyl)maleimide
CID 2778791
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
2-(2,5-Dioxopyrrol-1-yl)acetamide
CID 18534489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione (CID 118890992) is 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione is CN(CCN)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The InChIKey is IMRVRAAFUBPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(5-4-10)6-7-12-8(13)2-3-9(12)14/h2-3H,4-7,10H2,1H3.
What are the key properties of 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-aminoethyl(methyl)amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 118890992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).