(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C10H17NO2 — CID 6378399

IUPAC(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)/C2=N\O
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,8,12-13H,4-5H2,1-3H3/b11-7-
InChIKeyAEBYCLKAXBADIB-XFFZJAGNSA-N
MW183.25 g/mol
LogP1.63
Rot. Bonds

About (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 6378399) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID6378399
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)C2CCC1(C)C(O)/C2=N\O
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,8,12-13H,4-5H2,1-3H3/b11-7-
InChIKeyAEBYCLKAXBADIB-XFFZJAGNSA-N
XLogP1.63
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,3Z,4R)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 16658761
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1R,3E,4S)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7271809
(1R,4R)-3,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-one
CID 130754394
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver
CID 135462655
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533
(1S,4S)-1,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 134987418

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 6378399) is (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)C2CCC1(C)C(O)/C2=N\O.
What is the InChIKey of (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is AEBYCLKAXBADIB-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,8,12-13H,4-5H2,1-3H3/b11-7-.
What are the key properties of (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 6378399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).