4,5-diethyl-1H-pyrrole-2-carboxamide

C9H14N2O — CID 150846396

IUPAC4,5-diethyl-1H-pyrrole-2-carboxamide
SMILESCCc1cc(C(N)=O)[nH]c1CC
InChIInChI=1S/C9H14N2O/c1-3-6-5-8(9(10)12)11-7(6)4-2/h5,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKPCASMBMWRRDHX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.24
Rot. Bonds3

About 4,5-diethyl-1H-pyrrole-2-carboxamide

4,5-diethyl-1H-pyrrole-2-carboxamide (PubChem CID 150846396) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,5-diethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-diethyl-1H-pyrrole-2-carboxamide
PubChem CID150846396
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4,5-diethyl-1H-pyrrole-2-carboxamide
SMILESCCc1cc(C(N)=O)[nH]c1CC
InChIInChI=1S/C9H14N2O/c1-3-6-5-8(9(10)12)11-7(6)4-2/h5,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyKPCASMBMWRRDHX-UHFFFAOYSA-N
XLogP1.24
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-diethyl-1H-pyrrole-2-carboxamide (CID 150846396) is 4,5-diethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-diethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-diethyl-1H-pyrrole-2-carboxamide is CCc1cc(C(N)=O)[nH]c1CC.
What is the InChIKey of 4,5-diethyl-1H-pyrrole-2-carboxamide?
The InChIKey is KPCASMBMWRRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-5-8(9(10)12)11-7(6)4-2/h5,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 4,5-diethyl-1H-pyrrole-2-carboxamide?
4,5-diethyl-1H-pyrrole-2-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 150846396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).