N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide

C14H19NO2 — CID 71796906

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC=CCC2)c(C)o1
InChIInChI=1S/C14H19NO2/c1-10-8-13(11(2)17-10)9-15-14(16)12-6-4-3-5-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,15,16)
InChIKeyZYRBQRVBICOSOC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.87
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796906) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796906
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC=CCC2)c(C)o1
InChIInChI=1S/C14H19NO2/c1-10-8-13(11(2)17-10)9-15-14(16)12-6-4-3-5-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,15,16)
InChIKeyZYRBQRVBICOSOC-UHFFFAOYSA-N
XLogP2.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71796906) is N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide is Cc1cc(CNC(=O)C2CC=CCC2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZYRBQRVBICOSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-8-13(11(2)17-10)9-15-14(16)12-6-4-3-5-7-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).