(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane

C17H29NO2 — CID 142986703

IUPAC(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
SMILESCC.COC.Cc1cc(C)cc(C(=O)N2CCCC2)c1
InChIInChI=1S/C13H17NO.C2H6O.C2H6/c1-10-7-11(2)9-12(8-10)13(15)14-5-3-4-6-14;1-3-2;1-2/h7-9H,3-6H2,1-2H3;1-2H3;1-2H3
InChIKeyHPIAKUGVULNEFM-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.83
Rot. Bonds1

About (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane

(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane (PubChem CID 142986703) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
PubChem CID142986703
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
SMILESCC.COC.Cc1cc(C)cc(C(=O)N2CCCC2)c1
InChIInChI=1S/C13H17NO.C2H6O.C2H6/c1-10-7-11(2)9-12(8-10)13(15)14-5-3-4-6-14;1-3-2;1-2/h7-9H,3-6H2,1-2H3;1-2H3;1-2H3
InChIKeyHPIAKUGVULNEFM-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 80665931
(3,5-dimethylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7242278
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310
(3,5-dimethylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025498
azepan-1-yl-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 115999799
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
[3-methyl-5-(4-methylsulfonylphenoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 123536465

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane?
The IUPAC name of (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane (CID 142986703) is (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane.
What is the SMILES notation for (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane?
The canonical SMILES for (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane is CC.COC.Cc1cc(C)cc(C(=O)N2CCCC2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane?
The InChIKey is HPIAKUGVULNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6O.C2H6/c1-10-7-11(2)9-12(8-10)13(15)14-5-3-4-6-14;1-3-2;1-2/h7-9H,3-6H2,1-2H3;1-2H3;1-2H3.
What are the key properties of (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane?
(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane has a molecular weight of 279.42 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane is sourced from PubChem (CID 142986703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).