3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione

C13H22N2O2 — CID 103072679

IUPAC3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8(2)14-6-9(3)7-15-12(16)10(4)11(5)13(15)17/h8,10-11,14H,3,6-7H2,1-2,4-5H3
InChIKeyCVVLPDHELQMBRA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds5

About 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione (PubChem CID 103072679) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
PubChem CID103072679
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-8(2)14-6-9(3)7-15-12(16)10(4)11(5)13(15)17/h8,10-11,14H,3,6-7H2,1-2,4-5H3
InChIKeyCVVLPDHELQMBRA-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
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
1-t-Butyl-4,4-dimethyl-2,5-dioxopyrrolidine-3-carboxylic acid allylamide
CID 11311649
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
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
1-[3-(Ethylamino)but-3-enyl]-3-methylpyrrolidine-2,5-dione
CID 126550583
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 127125203
1-[3-Methyl-2-(methylamino)but-3-enyl]pyrrolidine-2,5-dione
CID 174244189
N-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]propanamide
CID 176989895

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione (CID 103072679) is 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione is C=C(CNC(C)C)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is CVVLPDHELQMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)14-6-9(3)7-15-12(16)10(4)11(5)13(15)17/h8,10-11,14H,3,6-7H2,1-2,4-5H3.
What are the key properties of 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 103072679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).