N-benzyl-1-methylpyrrole-2-carboxamide

C13H14N2O — CID 11127627

IUPACN-benzyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O/c1-15-9-5-8-12(15)13(16)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeySLIBJAKSJCMPTI-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.96
Rot. Bonds3

About N-benzyl-1-methylpyrrole-2-carboxamide

N-benzyl-1-methylpyrrole-2-carboxamide (PubChem CID 11127627) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-benzyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methylpyrrole-2-carboxamide
PubChem CID11127627
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-benzyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O/c1-15-9-5-8-12(15)13(16)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeySLIBJAKSJCMPTI-UHFFFAOYSA-N
XLogP1.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-benzyl-1-methylpyrrole-2-carboxamide (CID 11127627) is N-benzyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-methylpyrrole-2-carboxamide?
The InChIKey is SLIBJAKSJCMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-9-5-8-12(15)13(16)14-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of N-benzyl-1-methylpyrrole-2-carboxamide?
N-benzyl-1-methylpyrrole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 11127627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).