2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide

C10H13NO2 — CID 60653753

IUPAC2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCNC(=O)c1cc(C)oc1C
InChIInChI=1S/C10H13NO2/c1-4-5-11-10(12)9-6-7(2)13-8(9)3/h4,6H,1,5H2,2-3H3,(H,11,12)
InChIKeyJFJUNPKCVKEVHD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.81
Rot. Bonds3

About 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide

2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide (PubChem CID 60653753) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
PubChem CID60653753
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCNC(=O)c1cc(C)oc1C
InChIInChI=1S/C10H13NO2/c1-4-5-11-10(12)9-6-7(2)13-8(9)3/h4,6H,1,5H2,2-3H3,(H,11,12)
InChIKeyJFJUNPKCVKEVHD-UHFFFAOYSA-N
XLogP1.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.81
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 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide (CID 60653753) is 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide is C=CCNC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide?
The InChIKey is JFJUNPKCVKEVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-5-11-10(12)9-6-7(2)13-8(9)3/h4,6H,1,5H2,2-3H3,(H,11,12).
What are the key properties of 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide?
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide is sourced from PubChem (CID 60653753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).