2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one

C16H19NO3 — CID 171834173

IUPAC2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one
SMILESCc1ccc(C(=O)N2CC3(CCC(=O)CC3)C2)cc1O
InChIInChI=1S/C16H19NO3/c1-11-2-3-12(8-14(11)19)15(20)17-9-16(10-17)6-4-13(18)5-7-16/h2-3,8,19H,4-7,9-10H2,1H3
InChIKeyMONVPDQYBLBMAB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.29
Rot. Bonds1

About 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one

2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one (PubChem CID 171834173) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one
PubChem CID171834173
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one
SMILESCc1ccc(C(=O)N2CC3(CCC(=O)CC3)C2)cc1O
InChIInChI=1S/C16H19NO3/c1-11-2-3-12(8-14(11)19)15(20)17-9-16(10-17)6-4-13(18)5-7-16/h2-3,8,19H,4-7,9-10H2,1H3
InChIKeyMONVPDQYBLBMAB-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-9-(3-hydroxy-4-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871813
(3S)-8-(3-hydroxy-4-methylbenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723385
(3-hydroxy-4-methylphenyl)-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 110016650
9-(3-hydroxy-4-methylbenzoyl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121278
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
2-(cyclopropanecarbonyl)-8-(3-hydroxy-4-methylbenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70766225
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
1-[(6R)-6-hydroxy-4-(3-hydroxy-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 97127858
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
2-(2-hydroxyethyl)-9-(4-hydroxy-3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72936387

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one?
The IUPAC name of 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one (CID 171834173) is 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one.
What is the SMILES notation for 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one?
The canonical SMILES for 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one is Cc1ccc(C(=O)N2CC3(CCC(=O)CC3)C2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one?
The InChIKey is MONVPDQYBLBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-2-3-12(8-14(11)19)15(20)17-9-16(10-17)6-4-13(18)5-7-16/h2-3,8,19H,4-7,9-10H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one?
2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one has a molecular weight of 273.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylbenzoyl)-2-azaspiro[3.5]nonan-7-one is sourced from PubChem (CID 171834173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).