(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone

C13H17NO — CID 42076609

IUPAC(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCc1ccc(C(=O)[C@H]2CCCN2)cc1C
InChIInChI=1S/C13H17NO/c1-9-5-6-11(8-10(9)2)13(15)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3/t12-/m1/s1
InChIKeyXJSJGDSMDXGGTN-GFCCVEGCSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds2

About (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone

(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 42076609) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID42076609
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCc1ccc(C(=O)[C@H]2CCCN2)cc1C
InChIInChI=1S/C13H17NO/c1-9-5-6-11(8-10(9)2)13(15)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3/t12-/m1/s1
InChIKeyXJSJGDSMDXGGTN-GFCCVEGCSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
[3,4-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82550245
(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552949
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanone
CID 64866803
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone (CID 42076609) is (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone is Cc1ccc(C(=O)[C@H]2CCCN2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is XJSJGDSMDXGGTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-6-11(8-10(9)2)13(15)12-4-3-7-14-12/h5-6,8,12,14H,3-4,7H2,1-2H3/t12-/m1/s1.
What are the key properties of (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone?
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 203.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 42076609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).