(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride

C8H10ClNO2 — CID 10535600

IUPAC(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride
SMILESCCC(/C(Cl)=N\O)c1ccco1
InChIInChI=1S/C8H10ClNO2/c1-2-6(8(9)10-11)7-4-3-5-12-7/h3-6,11H,2H2,1H3/b10-8+
InChIKeyPSIKATVBNJJNHF-CSKARUKUSA-N
MW187.63 g/mol
LogP2.80
Rot. Bonds3

About (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride

(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride (PubChem CID 10535600) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride.

Molecular Properties

Compound Name(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride
PubChem CID10535600
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride
SMILESCCC(/C(Cl)=N\O)c1ccco1
InChIInChI=1S/C8H10ClNO2/c1-2-6(8(9)10-11)7-4-3-5-12-7/h3-6,11H,2H2,1H3/b10-8+
InChIKeyPSIKATVBNJJNHF-CSKARUKUSA-N
XLogP2.80
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.80
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

1-(furan-2-yl)propane-1-thiol
CID 62631809
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
2,2-bis(furan-2-yl)acetyl chloride
CID 87723454
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
2-ethyl-N-hydroxybutanimidoyl chloride
CID 72760486
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
5-(furan-2-yl)-3-methylheptan-3-ol
CID 14952522
[2-chloro-4-(furan-2-yl)pent-2-en-3-yl]oxy-trimethylsilane
CID 131885413

Frequently Asked Questions

What is the IUPAC name of (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride?
The IUPAC name of (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride (CID 10535600) is (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride.
What is the SMILES notation for (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride?
The canonical SMILES for (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride is CCC(/C(Cl)=N\O)c1ccco1.
What is the InChIKey of (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride?
The InChIKey is PSIKATVBNJJNHF-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-2-6(8(9)10-11)7-4-3-5-12-7/h3-6,11H,2H2,1H3/b10-8+.
What are the key properties of (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride?
(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride has a molecular weight of 187.63 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride is sourced from PubChem (CID 10535600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).