(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine

C12H19NO — CID 22150533

IUPAC(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
SMILESCC1/C(=N\O)C2(C(C)C)CCC=CC12
InChIInChI=1S/C12H19NO/c1-8(2)12-7-5-4-6-10(12)9(3)11(12)13-14/h4,6,8-10,14H,5,7H2,1-3H3/b13-11+
InChIKeyWUMCIFPFONFCOU-ACCUITESSA-N
MW193.29 g/mol
LogP3.07
Rot. Bonds1

About (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine

(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine (PubChem CID 22150533) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
PubChem CID22150533
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine
SMILESCC1/C(=N\O)C2(C(C)C)CCC=CC12
InChIInChI=1S/C12H19NO/c1-8(2)12-7-5-4-6-10(12)9(3)11(12)13-14/h4,6,8-10,14H,5,7H2,1-3H3/b13-11+
InChIKeyWUMCIFPFONFCOU-ACCUITESSA-N
XLogP3.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine (CID 22150533) is (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine is CC1/C(=N\O)C2(C(C)C)CCC=CC12.
What is the InChIKey of (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
The InChIKey is WUMCIFPFONFCOU-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)12-7-5-4-6-10(12)9(3)11(12)13-14/h4,6,8-10,14H,5,7H2,1-3H3/b13-11+.
What are the key properties of (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine?
(NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(8-methyl-6-propan-2-yl-7-bicyclo[4.2.0]oct-2-enylidene)hydroxylamine is sourced from PubChem (CID 22150533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).