2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one

C9H13NO2 — CID 58264618

IUPAC2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
SMILESCN1C(=O)C2CC3CC2C1C3O
InChIInChI=1S/C9H13NO2/c1-10-7-5-2-4(8(7)11)3-6(5)9(10)12/h4-8,11H,2-3H2,1H3
InChIKeyPMTBYAKUAJJKBP-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds

About 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one

2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 58264618) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID58264618
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
SMILESCN1C(=O)C2CC3CC2C1C3O
InChIInChI=1S/C9H13NO2/c1-10-7-5-2-4(8(7)11)3-6(5)9(10)12/h4-8,11H,2-3H2,1H3
InChIKeyPMTBYAKUAJJKBP-UHFFFAOYSA-N
XLogP-0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71747237
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CID 105428130
4-methyl-4-azatetracyclo[6.2.1.13,6.02,7]dodecan-5-one
CID 118943949
(1R,3S,4R,6S)-3,4-dibromo-7-methyl-7-azabicyclo[4.2.0]octan-8-one
CID 124920538
4-methylsulfonyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 102154722
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)butan-2-one
CID 130494985
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
CID 122130954
(1R,5Z,9R,10S)-9-hydroxy-11-methyl-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
CID 102069427
N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
CID 114247391
4-amino-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 130495046
(5S)-5-hydroxy-1-methyl-3-sulfanylpyrrolidin-2-one
CID 130219345
(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
CID 98162011

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one (CID 58264618) is 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one is CN1C(=O)C2CC3CC2C1C3O.
What is the InChIKey of 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is PMTBYAKUAJJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-7-5-2-4(8(7)11)3-6(5)9(10)12/h4-8,11H,2-3H2,1H3.
What are the key properties of 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one?
2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-4-azatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 58264618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).