(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile

C9H9NO2 — CID 155325977

IUPAC(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(CO)o1
InChIInChI=1S/C9H9NO2/c1-7(5-10)4-8-2-3-9(6-11)12-8/h2-4,11H,6H2,1H3/b7-4-
InChIKeyCNWLHZOKRIBBFU-DAXSKMNVSA-N
MW163.18 g/mol
LogP1.70
Rot. Bonds2

About (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile

(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile (PubChem CID 155325977) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile
PubChem CID155325977
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(CO)o1
InChIInChI=1S/C9H9NO2/c1-7(5-10)4-8-2-3-9(6-11)12-8/h2-4,11H,6H2,1H3/b7-4-
InChIKeyCNWLHZOKRIBBFU-DAXSKMNVSA-N
XLogP1.70
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile 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-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
(E)-3-(1-benzofuran-2-yl)-2-methylprop-2-enenitrile
CID 18339198
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
CID 153317965
(3Z)-3,6-bis[[5-(hydroxymethyl)furan-2-yl]methylidene]piperazine-2,5-dione
CID 5359161
N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
CID 169466848
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
CID 55266499
deuterio(fluoro)methane;2,5-dimethylfuran;fluoromethane;5-(hydroxymethyl)furan-2-carbaldehyde
CID 158565928
azane;(5-methylfuran-2-yl)methanol
CID 175565780
(5-prop-1-en-2-ylfuran-2-yl)methanol
CID 119081817
(3E)-2-amino-4-[5-(difluoromethylsulfanylmethyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 78820192
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol
CID 23862005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile (CID 155325977) is (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile is C/C(C#N)=C/c1ccc(CO)o1.
What is the InChIKey of (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile?
The InChIKey is CNWLHZOKRIBBFU-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7(5-10)4-8-2-3-9(6-11)12-8/h2-4,11H,6H2,1H3/b7-4-.
What are the key properties of (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile?
(Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile has a molecular weight of 163.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(hydroxymethyl)furan-2-yl]-2-methylprop-2-enenitrile is sourced from PubChem (CID 155325977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).