N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine

C8H9NO2 — CID 6926110

IUPACN-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccco1)=NO
InChIInChI=1S/C8H9NO2/c1-7(9-10)4-5-8-3-2-6-11-8/h2-6,10H,1H3/b5-4+,9-7?
InChIKeyFQVOTFYZEZERCB-DDOVINDASA-N
MW151.16 g/mol
LogP2.14
Rot. Bonds2

About N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine

N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 6926110) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
PubChem CID6926110
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccco1)=NO
InChIInChI=1S/C8H9NO2/c1-7(9-10)4-5-8-3-2-6-11-8/h2-6,10H,1H3/b5-4+,9-7?
InChIKeyFQVOTFYZEZERCB-DDOVINDASA-N
XLogP2.14
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 52.14
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

4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
(1E)-1-(furan-2-yl)-4-methylhexa-1,4,5-trien-3-one
CID 102297621
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
1-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-3-(2-methylpropyl)thiourea
CID 5385463
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]quinolin-2-amine
CID 3319597
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
CID 20843414
CID 20843414
(E)-4-acetyl-1-(furan-2-yl)hept-1-ene-3,5-dione
CID 144786379

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine (CID 6926110) is N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine is CC(/C=C/c1ccco1)=NO.
What is the InChIKey of N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is FQVOTFYZEZERCB-DDOVINDASA-N. The full InChI is InChI=1S/C8H9NO2/c1-7(9-10)4-5-8-3-2-6-11-8/h2-6,10H,1H3/b5-4+,9-7?.
What are the key properties of N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine?
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 151.16 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 6926110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).