(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine

C14H15NO2 — CID 19869736

IUPAC(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine
SMILESCC(C)c1ccc(-c2ccc(/C=N/O)o2)cc1
InChIInChI=1S/C14H15NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(17-14)9-15-16/h3-10,16H,1-2H3/b15-9+
InChIKeyLNTUJZGOCVOAPE-OQLLNIDSSA-N
MW229.28 g/mol
LogP3.88
Rot. Bonds3

About (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine

(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine (PubChem CID 19869736) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine
PubChem CID19869736
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine
SMILESCC(C)c1ccc(-c2ccc(/C=N/O)o2)cc1
InChIInChI=1S/C14H15NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(17-14)9-15-16/h3-10,16H,1-2H3/b15-9+
InChIKeyLNTUJZGOCVOAPE-OQLLNIDSSA-N
XLogP3.88
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.88
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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Related Compounds

(NZ)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5343283
1-[4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]phenyl]ethanone
CID 50884928
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370
(E)-3-[5-(4-propan-2-ylphenyl)furan-2-yl]prop-2-enoic acid
CID 43826347
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
CID 50885343
ethyl 4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoate
CID 5343083
1-(4-propan-2-ylphenyl)-3-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
CID 42992296
(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
CID 11355925
(NZ)-N-[(5-chlorofuran-2-yl)methylidene]hydroxylamine
CID 25489707
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
6-[5-[(E)-hydroxyiminomethyl]furan-2-yl]-3H-2-benzofuran-1-one
CID 50887825

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine (CID 19869736) is (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine is CC(C)c1ccc(-c2ccc(/C=N/O)o2)cc1.
What is the InChIKey of (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine?
The InChIKey is LNTUJZGOCVOAPE-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13(17-14)9-15-16/h3-10,16H,1-2H3/b15-9+.
What are the key properties of (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine?
(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine has a molecular weight of 229.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 19869736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).