(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine

C7H9NO2 — CID 15581316

IUPAC(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccco1)=N\O
InChIInChI=1S/C7H9NO2/c1-6(8-9)5-7-3-2-4-10-7/h2-4,9H,5H2,1H3/b8-6+
InChIKeyYSTONXZNJWORAA-SOFGYWHQSA-N
MW139.15 g/mol
LogP1.67
Rot. Bonds2

About (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine (PubChem CID 15581316) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine
PubChem CID15581316
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccco1)=N\O
InChIInChI=1S/C7H9NO2/c1-6(8-9)5-7-3-2-4-10-7/h2-4,9H,5H2,1H3/b8-6+
InChIKeyYSTONXZNJWORAA-SOFGYWHQSA-N
XLogP1.67
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.67
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

2-[2-[1,3-bis(furan-2-yl)propan-2-yl]-4-(furan-2-yl)-3-methylbut-2-enyl]furan
CID 141133194
N-[1-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426063
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
2-(furan-2-ylmethyl)prop-2-en-1-amine
CID 117266490
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)hexan-2-one
CID 3115857
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine (CID 15581316) is (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccco1)=N\O.
What is the InChIKey of (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is YSTONXZNJWORAA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6(8-9)5-7-3-2-4-10-7/h2-4,9H,5H2,1H3/b8-6+.
What are the key properties of (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 139.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(furan-2-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 15581316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).