3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione

C12H20N2O2 — CID 103072064

IUPAC3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
SMILESC=C(CNC(C)C)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)13-6-9(3)7-14-11(15)5-10(4)12(14)16/h8,10,13H,3,5-7H2,1-2,4H3
InChIKeyPQAQTGZDXLNROX-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds5

About 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione

3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione (PubChem CID 103072064) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
PubChem CID103072064
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
SMILESC=C(CNC(C)C)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)13-6-9(3)7-14-11(15)5-10(4)12(14)16/h8,10,13H,3,5-7H2,1-2,4H3
InChIKeyPQAQTGZDXLNROX-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 53505206
N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 71936846
N-(2-methylprop-2-enyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 114618326
1-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 4575183
N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propyl]but-3-enamide
CID 57574053
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbutanamide
CID 57954017
3-Methyl-1-[3-(methylamino)propyl]pyrrolidine-2,5-dione
CID 61349029
3-Methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 61387784
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;pyrrolidin-2-one
CID 66823176
1-butan-2-yl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 68403573
N-(2-methylprop-1-enyl)-2,5-dioxopyrrolidine-3-carboxamide
CID 70007602

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione (CID 103072064) is 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione is C=C(CNC(C)C)CN1C(=O)CC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is PQAQTGZDXLNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)13-6-9(3)7-14-11(15)5-10(4)12(14)16/h8,10,13H,3,5-7H2,1-2,4H3.
What are the key properties of 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 103072064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).