(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine

C11H17N3O — CID 135449200

IUPAC(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C11H17N3O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14-15/h15H,4-6H2,1-3H3,(H,12,13)/b14-9-
InChIKeyKAFSCBQLGNQSIH-ZROIWOOFSA-N
MW207.28 g/mol
LogP2.12
Rot. Bonds1

About (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine

(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine (PubChem CID 135449200) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
PubChem CID135449200
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine
SMILESCCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C11H17N3O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14-15/h15H,4-6H2,1-3H3,(H,12,13)/b14-9-
InChIKeyKAFSCBQLGNQSIH-ZROIWOOFSA-N
XLogP2.12
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine (CID 135449200) is (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine is CCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
The InChIKey is KAFSCBQLGNQSIH-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-7-10-8(13-12-7)5-11(2,3)6-9(10)14-15/h15H,4-6H2,1-3H3,(H,12,13)/b14-9-.
What are the key properties of (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine?
(NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine has a molecular weight of 207.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-ethyl-6,6-dimethyl-5,7-dihydro-1H-indazol-4-ylidene)hydroxylamine is sourced from PubChem (CID 135449200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).