9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one

C9H13NO2 — CID 146529876

IUPAC9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESNC1CC2CC1C1C(=O)OCC21
InChIInChI=1S/C9H13NO2/c10-7-2-4-1-5(7)8-6(4)3-12-9(8)11/h4-8H,1-3,10H2
InChIKeyYJLTYUCVPHUSJW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.14
Rot. Bonds

About 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one

9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 146529876) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID146529876
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one
SMILESNC1CC2CC1C1C(=O)OCC21
InChIInChI=1S/C9H13NO2/c10-7-2-4-1-5(7)8-6(4)3-12-9(8)11/h4-8H,1-3,10H2
InChIKeyYJLTYUCVPHUSJW-UHFFFAOYSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 124787625
(1S,2R,6R,7S)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 98519994
9-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034576
(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)methyl prop-2-enoate
CID 154536495
(E)-2-methyl-3-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl)prop-2-enoic acid
CID 67120343
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559
(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 166653902
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 149104854
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 4-O-(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) butanedioate
CID 59593728
(2S,6R)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 12006893

Frequently Asked Questions

What is the IUPAC name of 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one (CID 146529876) is 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one is NC1CC2CC1C1C(=O)OCC21.
What is the InChIKey of 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is YJLTYUCVPHUSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c10-7-2-4-1-5(7)8-6(4)3-12-9(8)11/h4-8H,1-3,10H2.
What are the key properties of 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one?
9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-4-oxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 146529876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).