N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide

C11H16N2O — CID 134578815

IUPACN-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C11H16N2O/c1-8(2)13-6-5-9(7-13)11(14)12-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,12,14)
InChIKeyRTTKOKYHQIDLCN-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.96
Rot. Bonds3

About N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide

N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 134578815) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID134578815
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C11H16N2O/c1-8(2)13-6-5-9(7-13)11(14)12-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,12,14)
InChIKeyRTTKOKYHQIDLCN-UHFFFAOYSA-N
XLogP1.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
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-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide (CID 134578815) is N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide is CC(C)n1ccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is RTTKOKYHQIDLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13-6-5-9(7-13)11(14)12-10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide?
N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 192.26 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-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 134578815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).