2-(furan-2-yl)-2-(iodoamino)acetonitrile

C6H5IN2O — CID 146552435

IUPAC2-(furan-2-yl)-2-(iodoamino)acetonitrile
SMILESN#CC(NI)c1ccco1
InChIInChI=1S/C6H5IN2O/c7-9-5(4-8)6-2-1-3-10-6/h1-3,5,9H
InChIKeyVBXUAUQCAJYTBG-UHFFFAOYSA-N
MW248.02 g/mol
LogP1.78
Rot. Bonds2

About 2-(furan-2-yl)-2-(iodoamino)acetonitrile

2-(furan-2-yl)-2-(iodoamino)acetonitrile (PubChem CID 146552435) has the molecular formula C6H5IN2O and a molecular weight of 248.02 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(iodoamino)acetonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(iodoamino)acetonitrile
PubChem CID146552435
Molecular FormulaC6H5IN2O
Molecular Weight248.02 g/mol
Exact Mass247.94
IUPAC Name2-(furan-2-yl)-2-(iodoamino)acetonitrile
SMILESN#CC(NI)c1ccco1
InChIInChI=1S/C6H5IN2O/c7-9-5(4-8)6-2-1-3-10-6/h1-3,5,9H
InChIKeyVBXUAUQCAJYTBG-UHFFFAOYSA-N
XLogP1.78
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.02
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
2-(furan-2-yl)-2-(3-methylbutylamino)acetonitrile
CID 55263890
N-[cyano(furan-2-yl)methyl]-2,2-dimethylpropanamide
CID 13075793
2-(furan-2-yl)-2-sulfanylacetonitrile
CID 13409144
N-[cyano(furan-2-yl)methyl]-4-methylbenzamide
CID 13075830
(2R)-2-(furan-2-yl)-2-[[(2-methylphenyl)-phenylmethyl]amino]acetonitrile
CID 177499858
3-bromo-N-[cyano(furan-2-yl)methyl]benzamide
CID 82124792
(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
CID 685825
N-[cyano(furan-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 14624271
2-(furan-2-yl)pentanenitrile
CID 165359033
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(iodoamino)acetonitrile?
The IUPAC name of 2-(furan-2-yl)-2-(iodoamino)acetonitrile (CID 146552435) is 2-(furan-2-yl)-2-(iodoamino)acetonitrile.
What is the SMILES notation for 2-(furan-2-yl)-2-(iodoamino)acetonitrile?
The canonical SMILES for 2-(furan-2-yl)-2-(iodoamino)acetonitrile is N#CC(NI)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-(iodoamino)acetonitrile?
The InChIKey is VBXUAUQCAJYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2O/c7-9-5(4-8)6-2-1-3-10-6/h1-3,5,9H.
What are the key properties of 2-(furan-2-yl)-2-(iodoamino)acetonitrile?
2-(furan-2-yl)-2-(iodoamino)acetonitrile has a molecular weight of 248.02 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(iodoamino)acetonitrile is sourced from PubChem (CID 146552435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).