3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile

C16H14N2O — CID 71901438

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESCC1CC1c1ccc(C=C(C#N)c2ccccn2)o1
InChIInChI=1S/C16H14N2O/c1-11-8-14(11)16-6-5-13(19-16)9-12(10-17)15-4-2-3-7-18-15/h2-7,9,11,14H,8H2,1H3
InChIKeyAMGFLMVBRFCRQZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.86
Rot. Bonds3

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile

3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 71901438) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile
PubChem CID71901438
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESCC1CC1c1ccc(C=C(C#N)c2ccccn2)o1
InChIInChI=1S/C16H14N2O/c1-11-8-14(11)16-6-5-13(19-16)9-12(10-17)15-4-2-3-7-18-15/h2-7,9,11,14H,8H2,1H3
InChIKeyAMGFLMVBRFCRQZ-UHFFFAOYSA-N
XLogP3.86
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile (CID 71901438) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile is CC1CC1c1ccc(C=C(C#N)c2ccccn2)o1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is AMGFLMVBRFCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-8-14(11)16-6-5-13(19-16)9-12(10-17)15-4-2-3-7-18-15/h2-7,9,11,14H,8H2,1H3.
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 250.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 71901438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).