(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

C13H17NO3 — CID 24690511

IUPAC(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-10(14-15)11-4-6-12(7-5-11)17-9-13-3-2-8-16-13/h4-7,13,15H,2-3,8-9H2,1H3/b14-10+
InChIKeyBVEIHCMTKQNPOB-GXDHUFHOSA-N
MW235.28 g/mol
LogP2.44
Rot. Bonds4

About (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 24690511) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID24690511
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-10(14-15)11-4-6-12(7-5-11)17-9-13-3-2-8-16-13/h4-7,13,15H,2-3,8-9H2,1H3/b14-10+
InChIKeyBVEIHCMTKQNPOB-GXDHUFHOSA-N
XLogP2.44
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (CID 24690511) is (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is BVEIHCMTKQNPOB-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(14-15)11-4-6-12(7-5-11)17-9-13-3-2-8-16-13/h4-7,13,15H,2-3,8-9H2,1H3/b14-10+.
What are the key properties of (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 235.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24690511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).