(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine

C13H17NO2 — CID 125486684

IUPAC(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine
SMILESCOCc1ccc2c(c1)CC[C@H](/C=N\O)C2
InChIInChI=1S/C13H17NO2/c1-16-9-11-3-5-12-6-10(8-14-15)2-4-13(12)7-11/h3,5,7-8,10,15H,2,4,6,9H2,1H3/b14-8-/t10-/m0/s1
InChIKeyYQJVSVDMAIVULF-WULZRQGASA-N
MW219.28 g/mol
LogP2.40
Rot. Bonds3

About (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine

(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine (PubChem CID 125486684) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine
PubChem CID125486684
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine
SMILESCOCc1ccc2c(c1)CC[C@H](/C=N\O)C2
InChIInChI=1S/C13H17NO2/c1-16-9-11-3-5-12-6-10(8-14-15)2-4-13(12)7-11/h3,5,7-8,10,15H,2,4,6,9H2,1H3/b14-8-/t10-/m0/s1
InChIKeyYQJVSVDMAIVULF-WULZRQGASA-N
XLogP2.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.40
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 (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine (CID 125486684) is (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine is COCc1ccc2c(c1)CC[C@H](/C=N\O)C2.
What is the InChIKey of (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine?
The InChIKey is YQJVSVDMAIVULF-WULZRQGASA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-9-11-3-5-12-6-10(8-14-15)2-4-13(12)7-11/h3,5,7-8,10,15H,2,4,6,9H2,1H3/b14-8-/t10-/m0/s1.
What are the key properties of (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine?
(NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine has a molecular weight of 219.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[(2S)-6-(methoxymethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 125486684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).