4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile

C10H10N2O — CID 163409584

IUPAC4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESN#CC1=CNCCC1c1ccco1
InChIInChI=1S/C10H10N2O/c11-6-8-7-12-4-3-9(8)10-2-1-5-13-10/h1-2,5,7,9,12H,3-4H2
InChIKeyKPFQUBIAFUOMQP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.76
Rot. Bonds1

About 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile

4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile (PubChem CID 163409584) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
PubChem CID163409584
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile
SMILESN#CC1=CNCCC1c1ccco1
InChIInChI=1S/C10H10N2O/c11-6-8-7-12-4-3-9(8)10-2-1-5-13-10/h1-2,5,7,9,12H,3-4H2
InChIKeyKPFQUBIAFUOMQP-UHFFFAOYSA-N
XLogP1.76
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-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-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
(3-Furan-2-yl-propyl)-methyl-amine
CID 2772204
3-Furan-2-yl-3-phenyl-propylamine
CID 3149175
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carbonitrile
CID 10679529
5-(Furan-2-yl)-3-(heptylamino)cyclohex-2-en-1-one
CID 4569333
2,6-diamino-4-(furan-2-yl)-4H-thiopyran-3,5-dicarbonitrile
CID 689304
5-(2-Furyl)-3-(isobutylamino)-2-cyclohexen-1-one
CID 2901459
3-(Furan-2-yl)-4-phenylbutan-1-amine
CID 2771863
2-Furanpropylamine, N,N,beta-trimethyl-, hydrochloride
CID 32991
2-Furanpropylamine, N,N-dimethyl-beta-ethyl-, hydrochloride
CID 32992
4-(Furan-2-yl)piperidine
CID 19608470
3-(Furan-2-yl)pyrrolidine
CID 52988233

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile (CID 163409584) is 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile is N#CC1=CNCCC1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile?
The InChIKey is KPFQUBIAFUOMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-6-8-7-12-4-3-9(8)10-2-1-5-13-10/h1-2,5,7,9,12H,3-4H2.
What are the key properties of 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile?
4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,2,3,4-tetrahydropyridine-5-carbonitrile is sourced from PubChem (CID 163409584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).