1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

C19H24N2O2 — CID 17151749

IUPAC1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(=O)N(c2cc(C)ccc2C)C1
InChIInChI=1S/C19H24N2O2/c1-5-9-20(10-6-2)19(23)16-12-18(22)21(13-16)17-11-14(3)7-8-15(17)4/h5-8,11,16H,1-2,9-10,12-13H2,3-4H3
InChIKeyIXUPZCFFZFACOT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.86
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide

1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (PubChem CID 17151749) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
PubChem CID17151749
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CC(=O)N(c2cc(C)ccc2C)C1
InChIInChI=1S/C19H24N2O2/c1-5-9-20(10-6-2)19(23)16-12-18(22)21(13-16)17-11-14(3)7-8-15(17)4/h5-8,11,16H,1-2,9-10,12-13H2,3-4H3
InChIKeyIXUPZCFFZFACOT-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
1-[(4-methylphenyl)methyl]-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 78784451
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 54792505
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 17003088
(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 42560602
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17151870
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17151724
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide (CID 17151749) is 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is C=CCN(CC=C)C(=O)C1CC(=O)N(c2cc(C)ccc2C)C1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
The InChIKey is IXUPZCFFZFACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-9-20(10-6-2)19(23)16-12-18(22)21(13-16)17-11-14(3)7-8-15(17)4/h5-8,11,16H,1-2,9-10,12-13H2,3-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide?
1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17151749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).