N,N,4-trimethyl-2H-pyrrole-5-carboxamide

C8H12N2O — CID 157205591

IUPACN,N,4-trimethyl-2H-pyrrole-5-carboxamide
SMILESCC1=CCN=C1C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-6-4-5-9-7(6)8(11)10(2)3/h4H,5H2,1-3H3
InChIKeyZJCAOCSIRZJEIZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.48
Rot. Bonds1

About N,N,4-trimethyl-2H-pyrrole-5-carboxamide

N,N,4-trimethyl-2H-pyrrole-5-carboxamide (PubChem CID 157205591) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N,N,4-trimethyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2H-pyrrole-5-carboxamide
PubChem CID157205591
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN,N,4-trimethyl-2H-pyrrole-5-carboxamide
SMILESCC1=CCN=C1C(=O)N(C)C
InChIInChI=1S/C8H12N2O/c1-6-4-5-9-7(6)8(11)10(2)3/h4H,5H2,1-3H3
InChIKeyZJCAOCSIRZJEIZ-UHFFFAOYSA-N
XLogP0.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2H-pyrrole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2H-pyrrole-5-carboxamide (CID 157205591) is N,N,4-trimethyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2H-pyrrole-5-carboxamide is CC1=CCN=C1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2H-pyrrole-5-carboxamide?
The InChIKey is ZJCAOCSIRZJEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-4-5-9-7(6)8(11)10(2)3/h4H,5H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2H-pyrrole-5-carboxamide?
N,N,4-trimethyl-2H-pyrrole-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 157205591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).