1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide

C13H18N2O — CID 117008153

IUPAC1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-4-3-11(8-15)13(14)16/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeySPLDPCVDXFNINU-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds2

About 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 117008153) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID117008153
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(N)=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-4-3-11(8-15)13(14)16/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeySPLDPCVDXFNINU-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-[3-(aminomethyl)-5-bromophenyl]pyrrolidine-3-carboxamide
CID 114081728
1-[2-(hydroxymethyl)-4-methylphenyl]pyrrolidine-3-carboxamide
CID 114082229
1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 112647193
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
1-(3-hydroxy-2-methylphenyl)pyrrolidine-3-carboxamide
CID 86258408
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
CID 161148090
1-(5-methyl-3-pyridinyl)azetidine-3-carboxamide
CID 140621426

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide (CID 117008153) is 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SPLDPCVDXFNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-10(2)7-12(6-9)15-4-3-11(8-15)13(14)16/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16).
What are the key properties of 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117008153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).