2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol

C8H15NO2 — CID 86197708

IUPAC2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1C2CCC(C2)C1(O)NO
InChIInChI=1S/C8H15NO2/c1-5-6-2-3-7(4-6)8(5,10)9-11/h5-7,9-11H,2-4H2,1H3
InChIKeyCCPSRUGAKBUSLG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds1

About 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol

2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol (PubChem CID 86197708) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol
PubChem CID86197708
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol
SMILESCC1C2CCC(C2)C1(O)NO
InChIInChI=1S/C8H15NO2/c1-5-6-2-3-7(4-6)8(5,10)9-11/h5-7,9-11H,2-4H2,1H3
InChIKeyCCPSRUGAKBUSLG-UHFFFAOYSA-N
XLogP0.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
2,3-dimethyl-2-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]bicyclo[2.2.1]heptane
CID 20706073
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
CID 19102269
2,3-dimethyl-2-(2,4,4-trimethylpentyl)bicyclo[2.2.1]heptane
CID 90913515
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
(1R,2R,3S,4S)-3-(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-ol
CID 131133850
[(E)-4-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-3-en-2-yl] acetate
CID 20829162
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
CID 15761090
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 21332842
(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833743
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol (CID 86197708) is 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol is CC1C2CCC(C2)C1(O)NO.
What is the InChIKey of 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is CCPSRUGAKBUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-2-3-7(4-6)8(5,10)9-11/h5-7,9-11H,2-4H2,1H3.
What are the key properties of 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol?
2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 157.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-3-methylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 86197708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).