2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide

C15H22N2O2 — CID 173263297

IUPAC2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCC(=O)n1cccc1
InChIInChI=1S/C15H22N2O2/c18-14(12-13-6-2-1-3-7-13)16-9-8-15(19)17-10-4-5-11-17/h4-5,10-11,13H,1-3,6-9,12H2,(H,16,18)
InChIKeyWIBIMVPDZHFBRL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.61
Rot. Bonds5

About 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide

2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide (PubChem CID 173263297) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide
PubChem CID173263297
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCC(=O)n1cccc1
InChIInChI=1S/C15H22N2O2/c18-14(12-13-6-2-1-3-7-13)16-9-8-15(19)17-10-4-5-11-17/h4-5,10-11,13H,1-3,6-9,12H2,(H,16,18)
InChIKeyWIBIMVPDZHFBRL-UHFFFAOYSA-N
XLogP2.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide (CID 173263297) is 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide is O=C(CC1CCCCC1)NCCC(=O)n1cccc1.
What is the InChIKey of 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is WIBIMVPDZHFBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(12-13-6-2-1-3-7-13)16-9-8-15(19)17-10-4-5-11-17/h4-5,10-11,13H,1-3,6-9,12H2,(H,16,18).
What are the key properties of 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide?
2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-oxo-3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 173263297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).