1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione

C9H15N3O2 — CID 20666019

IUPAC1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione
SMILESCNCCCNCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c1-10-5-2-6-11-7-12-8(13)3-4-9(12)14/h3-4,10-11H,2,5-7H2,1H3
InChIKeyPOPXNGBWLDBLST-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.93
Rot. Bonds6

About 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione

1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione (PubChem CID 20666019) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione
PubChem CID20666019
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione
SMILESCNCCCNCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N3O2/c1-10-5-2-6-11-7-12-8(13)3-4-9(12)14/h3-4,10-11H,2,5-7H2,1H3
InChIKeyPOPXNGBWLDBLST-UHFFFAOYSA-N
XLogP-0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
CID 145076683
methyl N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]carbamate
CID 21042085
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692341
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
1-[2-(tritiomethylamino)ethyl]pyrrole-2,5-dione
CID 158008507
N-ethylethanamine;1-ethylpyrrole-2,5-dione
CID 19877873
methane;1-(2-oxopropyl)pyrrole-2,5-dione
CID 158929127
N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
CID 177148966
2-(2,5-dioxopyrrol-1-yl)-6-(methylamino)hexanoic acid;ethane
CID 142561754
4-[3-(methylamino)propyl]morpholine-3,5-dione
CID 58940962

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione (CID 20666019) is 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione is CNCCCNCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione?
The InChIKey is POPXNGBWLDBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10-5-2-6-11-7-12-8(13)3-4-9(12)14/h3-4,10-11H,2,5-7H2,1H3.
What are the key properties of 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione?
1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione is sourced from PubChem (CID 20666019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).