1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

C15H24N2O2 — CID 5459652

IUPAC1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(CC(C)C)C(=O)NCC1CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-15(7-4-8-17(15)12(3)18)14(19)16-10-13-5-6-13/h4,7,11,13H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyHZDZEJZLJPALSX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.72
Rot. Bonds5

About 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459652) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
PubChem CID5459652
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(CC(C)C)C(=O)NCC1CC1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-15(7-4-8-17(15)12(3)18)14(19)16-10-13-5-6-13/h4,7,11,13H,5-6,8-10H2,1-3H3,(H,16,19)
InChIKeyHZDZEJZLJPALSX-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (CID 5459652) is 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is CC(=O)N1CC=CC1(CC(C)C)C(=O)NCC1CC1.
What is the InChIKey of 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The InChIKey is HZDZEJZLJPALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-15(7-4-8-17(15)12(3)18)14(19)16-10-13-5-6-13/h4,7,11,13H,5-6,8-10H2,1-3H3,(H,16,19).
What are the key properties of 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).