6-(5-oxo-2H-pyrrol-1-yl)hexanamide

C10H16N2O2 — CID 118448316

IUPAC6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESNC(=O)CCCCCN1CC=CC1=O
InChIInChI=1S/C10H16N2O2/c11-9(13)5-2-1-3-7-12-8-4-6-10(12)14/h4,6H,1-3,5,7-8H2,(H2,11,13)
InChIKeyTWFCIJZFTWRBEQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds6

About 6-(5-oxo-2H-pyrrol-1-yl)hexanamide

6-(5-oxo-2H-pyrrol-1-yl)hexanamide (PubChem CID 118448316) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(5-oxo-2H-pyrrol-1-yl)hexanamide.

Molecular Properties

Compound Name6-(5-oxo-2H-pyrrol-1-yl)hexanamide
PubChem CID118448316
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name6-(5-oxo-2H-pyrrol-1-yl)hexanamide
SMILESNC(=O)CCCCCN1CC=CC1=O
InChIInChI=1S/C10H16N2O2/c11-9(13)5-2-1-3-7-12-8-4-6-10(12)14/h4,6H,1-3,5,7-8H2,(H2,11,13)
InChIKeyTWFCIJZFTWRBEQ-UHFFFAOYSA-N
XLogP0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 2166261
CID 2166261
CID 23054408
CID 23054408
CID 23054403
CID 23054403
CID 85794122
CID 85794122
CID 4499002
CID 4499002
CID 4568604
CID 4568604
CID 14280310
CID 14280310
CID 18671257
CID 18671257
CID 18724283
CID 18724283
CID 20466887
CID 20466887
CID 20719177
CID 20719177
CID 22141689
CID 22141689

Frequently Asked Questions

What is the IUPAC name of 6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The IUPAC name of 6-(5-oxo-2H-pyrrol-1-yl)hexanamide (CID 118448316) is 6-(5-oxo-2H-pyrrol-1-yl)hexanamide.
What is the SMILES notation for 6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The canonical SMILES for 6-(5-oxo-2H-pyrrol-1-yl)hexanamide is NC(=O)CCCCCN1CC=CC1=O.
What is the InChIKey of 6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
The InChIKey is TWFCIJZFTWRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-9(13)5-2-1-3-7-12-8-4-6-10(12)14/h4,6H,1-3,5,7-8H2,(H2,11,13).
What are the key properties of 6-(5-oxo-2H-pyrrol-1-yl)hexanamide?
6-(5-oxo-2H-pyrrol-1-yl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxo-2H-pyrrol-1-yl)hexanamide is sourced from PubChem (CID 118448316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).