(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone

C13H17NO — CID 925317

IUPAC(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C13H17NO/c1-10-5-6-12(11(2)9-10)13(15)14-7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeySJTXPWZNRVJPFA-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.54
Rot. Bonds1

About (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 925317) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID925317
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C13H17NO/c1-10-5-6-12(11(2)9-10)13(15)14-7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeySJTXPWZNRVJPFA-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
ethyl 4-(2,4-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808960
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2-iodo-4-methylphenyl)-piperidin-1-ylmethanone
CID 100523046
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
(2,4-dimethylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70702764
(4-ethynyl-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 87085173
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(2,4-dimethylphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699055

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone (CID 925317) is (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is SJTXPWZNRVJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-5-6-12(11(2)9-10)13(15)14-7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone?
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 203.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 925317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).