(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine

C9H13NO3 — CID 10559364

IUPAC(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
SMILESCCOCc1ccc(/C(C)=N/O)o1
InChIInChI=1S/C9H13NO3/c1-3-12-6-8-4-5-9(13-8)7(2)10-11/h4-5,11H,3,6H2,1-2H3/b10-7+
InChIKeyGLPPJZJVDYYIDB-JXMROGBWSA-N
MW183.21 g/mol
LogP2.01
Rot. Bonds4

About (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine (PubChem CID 10559364) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
PubChem CID10559364
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
SMILESCCOCc1ccc(/C(C)=N/O)o1
InChIInChI=1S/C9H13NO3/c1-3-12-6-8-4-5-9(13-8)7(2)10-11/h4-5,11H,3,6H2,1-2H3/b10-7+
InChIKeyGLPPJZJVDYYIDB-JXMROGBWSA-N
XLogP2.01
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.01
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

5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
ethoxyethane;2-(ethoxymethyl)-5-methylfuran
CID 118958545
2-tert-butyl-5-(ethoxymethyl)furan
CID 59332651
N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
CID 154075799
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
N-(6-chloroquinolin-4-yl)-5-(ethoxymethyl)furan-2-carboxamide
CID 17016574
(NE)-N-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethylidene]hydroxylamine
CID 10847816
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine (CID 10559364) is (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine is CCOCc1ccc(/C(C)=N/O)o1.
What is the InChIKey of (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine?
The InChIKey is GLPPJZJVDYYIDB-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-12-6-8-4-5-9(13-8)7(2)10-11/h4-5,11H,3,6H2,1-2H3/b10-7+.
What are the key properties of (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 10559364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).