N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine

C10H17NO — CID 75089472

IUPACN-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1CC=C(C(C)C)C(=NO)C1
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h5,7-8,12H,4,6H2,1-3H3
InChIKeyNKTMRRGTDXWPOK-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.83
Rot. Bonds1

About N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine

N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 75089472) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID75089472
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCC1CC=C(C(C)C)C(=NO)C1
InChIInChI=1S/C10H17NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h5,7-8,12H,4,6H2,1-3H3
InChIKeyNKTMRRGTDXWPOK-UHFFFAOYSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine (CID 75089472) is N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine is CC1CC=C(C(C)C)C(=NO)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is NKTMRRGTDXWPOK-UHFFFAOYSA-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.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine?
N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 75089472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).