N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide

C10H12N2O2 — CID 114820609

IUPACN-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C#N)co1
InChIInChI=1S/C10H12N2O2/c1-7(5-11)12(3)10(13)9-4-8(2)14-6-9/h4,6-7H,1-3H3
InChIKeyVOLNHGNTGCRATB-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.57
Rot. Bonds2

About N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide

N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide (PubChem CID 114820609) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide
PubChem CID114820609
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)C#N)co1
InChIInChI=1S/C10H12N2O2/c1-7(5-11)12(3)10(13)9-4-8(2)14-6-9/h4,6-7H,1-3H3
InChIKeyVOLNHGNTGCRATB-UHFFFAOYSA-N
XLogP1.57
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide (CID 114820609) is N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)C(C)C#N)co1.
What is the InChIKey of N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide?
The InChIKey is VOLNHGNTGCRATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(5-11)12(3)10(13)9-4-8(2)14-6-9/h4,6-7H,1-3H3.
What are the key properties of N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide?
N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 114820609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).