1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile

C15H11NO2 — CID 169332027

IUPAC1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(C=O)o3)cc2)CC1
InChIInChI=1S/C15H11NO2/c16-10-15(7-8-15)12-3-1-11(2-4-12)14-6-5-13(9-17)18-14/h1-6,9H,7-8H2
InChIKeyVTZAAUUAPDPHPN-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.31
Rot. Bonds3

About 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile

1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 169332027) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile
PubChem CID169332027
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(-c3ccc(C=O)o3)cc2)CC1
InChIInChI=1S/C15H11NO2/c16-10-15(7-8-15)12-3-1-11(2-4-12)14-6-5-13(9-17)18-14/h1-6,9H,7-8H2
InChIKeyVTZAAUUAPDPHPN-UHFFFAOYSA-N
XLogP3.31
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
CID 169331743
4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
CID 169331994
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
CID 169335380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile (CID 169332027) is 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile is N#CC1(c2ccc(-c3ccc(C=O)o3)cc2)CC1.
What is the InChIKey of 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is VTZAAUUAPDPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-10-15(7-8-15)12-3-1-11(2-4-12)14-6-5-13(9-17)18-14/h1-6,9H,7-8H2.
What are the key properties of 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile?
1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 169332027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).