(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C16H22N2O2 — CID 62273196

IUPAC(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-11-6-7-15(19)12(10-11)16(20)18-9-3-5-14(18)13-4-2-8-17-13/h6-7,10,13-14,17,19H,2-5,8-9H2,1H3
InChIKeyMYOFWKUMYBJMQT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.06
Rot. Bonds2

About (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62273196) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62273196
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(O)c(C(=O)N2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-11-6-7-15(19)12(10-11)16(20)18-9-3-5-14(18)13-4-2-8-17-13/h6-7,10,13-14,17,19H,2-5,8-9H2,1H3
InChIKeyMYOFWKUMYBJMQT-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256807
(4-bromo-2-hydroxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274407
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-hydroxy-5-methylphenyl)methanone
CID 102680439
(2-bromo-5-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274236
(2,6-dihydroxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 107690258
2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62274232
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-hydroxy-4-methylphenyl)methanone
CID 65320490
(2-iodophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256547

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62273196) is (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is Cc1ccc(O)c(C(=O)N2CCCC2C2CCCN2)c1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is MYOFWKUMYBJMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-6-7-15(19)12(10-11)16(20)18-9-3-5-14(18)13-4-2-8-17-13/h6-7,10,13-14,17,19H,2-5,8-9H2,1H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62273196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).