4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

C14H20N2O2 — CID 78851108

IUPAC4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)8-16(12-4-5-12)14(18)13-6-11(7-15-13)10(3)17/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyNJUUJNGJSFMMJN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.48
Rot. Bonds5

About 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 78851108) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID78851108
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-9(2)8-16(12-4-5-12)14(18)13-6-11(7-15-13)10(3)17/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyNJUUJNGJSFMMJN-UHFFFAOYSA-N
XLogP2.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 78851108) is 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(CC(C)C)C2CC2)c1.
What is the InChIKey of 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NJUUJNGJSFMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)8-16(12-4-5-12)14(18)13-6-11(7-15-13)10(3)17/h6-7,9,12,15H,4-5,8H2,1-3H3.
What are the key properties of 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).