N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide

C10H14N2O2 — CID 166130167

IUPACN-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c1-3-9(13)7(2)12-10(14)8-5-4-6-11-8/h4-7,11H,3H2,1-2H3,(H,12,14)
InChIKeyCEXPPEJNTIGUOZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.11
Rot. Bonds4

About N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide

N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 166130167) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID166130167
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c1-3-9(13)7(2)12-10(14)8-5-4-6-11-8/h4-7,11H,3H2,1-2H3,(H,12,14)
InChIKeyCEXPPEJNTIGUOZ-UHFFFAOYSA-N
XLogP1.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide (CID 166130167) is N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide is CCC(=O)C(C)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is CEXPPEJNTIGUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-9(13)7(2)12-10(14)8-5-4-6-11-8/h4-7,11H,3H2,1-2H3,(H,12,14).
What are the key properties of N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide?
N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxopentan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166130167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).