2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile

C13H10N2O2 — CID 41075943

IUPAC2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccccc1CO/N=C\c1ccco1
InChIInChI=1S/C13H10N2O2/c14-8-11-4-1-2-5-12(11)10-17-15-9-13-6-3-7-16-13/h1-7,9H,10H2/b15-9-
InChIKeyPLIOUCCQXAMIPG-DHDCSXOGSA-N
MW226.24 g/mol
LogP2.70
Rot. Bonds4

About 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile

2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile (PubChem CID 41075943) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile
PubChem CID41075943
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile
SMILESN#Cc1ccccc1CO/N=C\c1ccco1
InChIInChI=1S/C13H10N2O2/c14-8-11-4-1-2-5-12(11)10-17-15-9-13-6-3-7-16-13/h1-7,9H,10H2/b15-9-
InChIKeyPLIOUCCQXAMIPG-DHDCSXOGSA-N
XLogP2.70
TPSA58.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-hydroperoxymethanimine
CID 131862046
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 29001545
2-[[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]oxymethyl]benzonitrile
CID 26675986
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379631
2-[(2,6-dichlorophenoxy)methyl]benzonitrile
CID 22688283
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
(2-cyanophenyl)methyl carbamate
CID 66644204
[difluoro-[3-[4-[[(E)-furan-2-ylmethylideneamino]oxymethyl]phenyl]phenyl]methyl]phosphonic acid
CID 52952403
N'-[(2-cyanophenyl)methoxy]-3-methoxypropanimidamide
CID 76877830
4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2893154
(2-cyanophenyl)methyl methanesulfonate
CID 107936439
2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 165365622

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile?
The IUPAC name of 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile (CID 41075943) is 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile is N#Cc1ccccc1CO/N=C\c1ccco1.
What is the InChIKey of 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile?
The InChIKey is PLIOUCCQXAMIPG-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-11-4-1-2-5-12(11)10-17-15-9-13-6-3-7-16-13/h1-7,9H,10H2/b15-9-.
What are the key properties of 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile?
2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-furan-2-ylmethylideneamino]oxymethyl]benzonitrile is sourced from PubChem (CID 41075943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).