(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine

C12H16N2O — CID 5395711

IUPAC(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine
SMILESCc1ccc2c(n1)CC(C)(C)C/C2=N\O
InChIInChI=1S/C12H16N2O/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14-15/h4-5,15H,6-7H2,1-3H3/b14-11+
InChIKeyQHQDIDIONQYSLD-SDNWHVSQSA-N
MW204.27 g/mol
LogP2.54
Rot. Bonds

About (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine

(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine (PubChem CID 5395711) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine
PubChem CID5395711
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine
SMILESCc1ccc2c(n1)CC(C)(C)C/C2=N\O
InChIInChI=1S/C12H16N2O/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14-15/h4-5,15H,6-7H2,1-3H3/b14-11+
InChIKeyQHQDIDIONQYSLD-SDNWHVSQSA-N
XLogP2.54
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine (CID 5395711) is (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine is Cc1ccc2c(n1)CC(C)(C)C/C2=N\O.
What is the InChIKey of (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine?
The InChIKey is QHQDIDIONQYSLD-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-4-5-9-10(13-8)6-12(2,3)7-11(9)14-15/h4-5,15H,6-7H2,1-3H3/b14-11+.
What are the key properties of (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine?
(NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine has a molecular weight of 204.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,7,7-trimethyl-6,8-dihydroquinolin-5-ylidene)hydroxylamine is sourced from PubChem (CID 5395711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).