N,N-dimethyl-1H-pyrrole-3-carboxamide

C7H10N2O — CID 23057984

IUPACN,N-dimethyl-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C7H10N2O/c1-9(2)7(10)6-3-4-8-5-6/h3-5,8H,1-2H3
InChIKeyZSRDEIIPIQOTNY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.72
Rot. Bonds1

About N,N-dimethyl-1H-pyrrole-3-carboxamide

N,N-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 23057984) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N,N-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID23057984
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN,N-dimethyl-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)c1cc[nH]c1
InChIInChI=1S/C7H10N2O/c1-9(2)7(10)6-3-4-8-5-6/h3-5,8H,1-2H3
InChIKeyZSRDEIIPIQOTNY-UHFFFAOYSA-N
XLogP0.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1H-pyrrole-3-carboxamide (CID 23057984) is N,N-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1H-pyrrole-3-carboxamide is CN(C)C(=O)c1cc[nH]c1.
What is the InChIKey of N,N-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZSRDEIIPIQOTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9(2)7(10)6-3-4-8-5-6/h3-5,8H,1-2H3.
What are the key properties of N,N-dimethyl-1H-pyrrole-3-carboxamide?
N,N-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 23057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).