(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

C10H17NO2 — CID 125475535

IUPAC(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)C[C@H]21
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-8(11-13)10(3,12)5-7(6)9/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10-/m1/s1
InChIKeyKSOCAORFWINBSW-RCZGIODUSA-N
MW183.25 g/mol
LogP1.63
Rot. Bonds

About (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 125475535) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID125475535
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)C[C@H]21
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-8(11-13)10(3,12)5-7(6)9/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10-/m1/s1
InChIKeyKSOCAORFWINBSW-RCZGIODUSA-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'}

Analyze (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol with MolForge

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Related Compounds

(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475532
(NZ)-N-[(1S,4S,6S)-4-(hydroxyamino)-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 100819970
(NE)-N-[(1R,4S,6S)-4-chloro-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 14657545
(NE)-N-[(1R,4S,6S)-4-[2-[2-[[(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl]amino]ethylamino]ethylamino]-4,7,7-trimethyl-3-bicyclo[4.1.0]heptanylidene]hydroxylamine
CID 15519581
(1S,2R,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 23268112
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 14570352
(1R,2R,3E,5R)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 139206266
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
4,4,7,7-tetramethylbicyclo[4.1.0]heptan-3-one
CID 86146285
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3R,4Z,6R)-N,N,3,7,7-pentamethyl-4-prop-2-enoxyiminobicyclo[4.1.0]heptan-3-amine
CID 7232083

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CID 125475535) is (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is CC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)C[C@H]21.
What is the InChIKey of (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is KSOCAORFWINBSW-RCZGIODUSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-4-8(11-13)10(3,12)5-7(6)9/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10-/m1/s1.
What are the key properties of (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-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 (1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 125475535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).