(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime

C10H17NO — CID 129819629

IUPACN-[(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESC[C@@H]1CC=C(C(=NO)C1)C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h5,7-8,12H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyNKTMRRGTDXWPOK-MRVPVSSYSA-N
MW167.25 g/mol
LogP2.70
Rot. Bonds1

About (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime

(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime (PubChem CID 129819629) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime
PubChem CID129819629
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESC[C@@H]1CC=C(C(=NO)C1)C(C)C
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h5,7-8,12H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyNKTMRRGTDXWPOK-MRVPVSSYSA-N
XLogP2.70
TPSA32.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity216

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
(NE)-N-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydroxylamine
CID 6508017
Carvone oxime
CID 5373978
(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 44310974
(NE)-N-[1-(cyclohexen-1-yl)ethylidene]hydroxylamine
CID 44336214
[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime
CID 7166699
2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
5-Methyl-2-(1-methylethylidene)cyclohexan-1-one oxime
CID 9566348
(R)-(-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one oxime
CID 7166700
5-Methyl-2-(1-methylethylidene)cyclohexanone oxime
CID 573790
(NZ)-N-(5-methyl-2-propan-2-ylidenecyclohexylidene)hydroxylamine
CID 5370230

Frequently Asked Questions

What is the IUPAC name of (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime?
The IUPAC name of (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime (CID 129819629) is N-[(5R)-5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime?
The canonical SMILES for (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime is C[C@@H]1CC=C(C(=NO)C1)C(C)C.
What is the InChIKey of (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime?
The InChIKey is NKTMRRGTDXWPOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h5,7-8,12H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime?
(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime has a molecular weight of 167.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime is sourced from PubChem (CID 129819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).