(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine

C11H17NO — CID 5382663

IUPAC(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
SMILESCC12CC=CCC1CCC/C2=N/O
InChIInChI=1S/C11H17NO/c1-11-8-3-2-5-9(11)6-4-7-10(11)12-13/h2-3,9,13H,4-8H2,1H3/b12-10-
InChIKeyVSHUNOWSEHQUEE-BENRWUELSA-N
MW179.26 g/mol
LogP2.97
Rot. Bonds

About (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine

(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine (PubChem CID 5382663) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
PubChem CID5382663
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
SMILESCC12CC=CCC1CCC/C2=N/O
InChIInChI=1S/C11H17NO/c1-11-8-3-2-5-9(11)6-4-7-10(11)12-13/h2-3,9,13H,4-8H2,1H3/b12-10-
InChIKeyVSHUNOWSEHQUEE-BENRWUELSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.97
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 (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine (CID 5382663) is (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine is CC12CC=CCC1CCC/C2=N/O.
What is the InChIKey of (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine?
The InChIKey is VSHUNOWSEHQUEE-BENRWUELSA-N. The full InChI is InChI=1S/C11H17NO/c1-11-8-3-2-5-9(11)6-4-7-10(11)12-13/h2-3,9,13H,4-8H2,1H3/b12-10-.
What are the key properties of (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine?
(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine has a molecular weight of 179.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 5382663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).