5-cyano-N-propan-2-ylfuran-2-carboxamide

C9H10N2O2 — CID 130675979

IUPAC5-cyano-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C#N)o1
InChIInChI=1S/C9H10N2O2/c1-6(2)11-9(12)8-4-3-7(5-10)13-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyICCBCMMGMHODCP-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.29
Rot. Bonds2

About 5-cyano-N-propan-2-ylfuran-2-carboxamide

5-cyano-N-propan-2-ylfuran-2-carboxamide (PubChem CID 130675979) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-cyano-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-propan-2-ylfuran-2-carboxamide
PubChem CID130675979
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-cyano-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C#N)o1
InChIInChI=1S/C9H10N2O2/c1-6(2)11-9(12)8-4-3-7(5-10)13-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyICCBCMMGMHODCP-UHFFFAOYSA-N
XLogP1.29
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(1-fluoro-2-methylpropan-2-yl)furan-2-carboxamide
CID 126787460
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
methyl 3-[5-(propan-2-ylcarbamoyl)furan-2-yl]prop-2-enoate
CID 175475304
5-(2,6-dichlorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 17015033
5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
CID 10586174
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
5-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166197115
N-[(S)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-5-cyanofuran-2-carboxamide
CID 130288152
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-cyano-N-propan-2-ylfuran-2-carboxamide (CID 130675979) is 5-cyano-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-cyano-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-cyano-N-propan-2-ylfuran-2-carboxamide is CC(C)NC(=O)c1ccc(C#N)o1.
What is the InChIKey of 5-cyano-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is ICCBCMMGMHODCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(2)11-9(12)8-4-3-7(5-10)13-8/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 5-cyano-N-propan-2-ylfuran-2-carboxamide?
5-cyano-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 130675979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).