(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone

C13H18N2O2 — CID 113281924

IUPAC(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-11(12(9)16)13(17)15-7-6-10(8-15)14-2/h3-5,10,14,16H,6-8H2,1-2H3
InChIKeyDCGUSDWYEMVANT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone

(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 113281924) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID113281924
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(C)c2O)C1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-11(12(9)16)13(17)15-7-6-10(8-15)14-2/h3-5,10,14,16H,6-8H2,1-2H3
InChIKeyDCGUSDWYEMVANT-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
[3-(methylamino)pyrrolidin-1-yl]-(3-methyl-2-nitrophenyl)methanone;hydrochloride
CID 119413694
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
(2,3-dimethylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560822
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 113281924) is (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2cccc(C)c2O)C1.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is DCGUSDWYEMVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-11(12(9)16)13(17)15-7-6-10(8-15)14-2/h3-5,10,14,16H,6-8H2,1-2H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113281924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).