3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride

C9H10FNO2 — CID 102336221

IUPAC3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride
SMILESO=C(F)CCNC(=O)C1C=CC=C1
InChIInChI=1S/C9H10FNO2/c10-8(12)5-6-11-9(13)7-3-1-2-4-7/h1-4,7H,5-6H2,(H,11,13)
InChIKeyCOMOCJXKZWJSMZ-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.73
Rot. Bonds4

About 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride

3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride (PubChem CID 102336221) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride.

Molecular Properties

Compound Name3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride
PubChem CID102336221
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride
SMILESO=C(F)CCNC(=O)C1C=CC=C1
InChIInChI=1S/C9H10FNO2/c10-8(12)5-6-11-9(13)7-3-1-2-4-7/h1-4,7H,5-6H2,(H,11,13)
InChIKeyCOMOCJXKZWJSMZ-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride?
The IUPAC name of 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride (CID 102336221) is 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride.
What is the SMILES notation for 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride?
The canonical SMILES for 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride is O=C(F)CCNC(=O)C1C=CC=C1.
What is the InChIKey of 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride?
The InChIKey is COMOCJXKZWJSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-8(12)5-6-11-9(13)7-3-1-2-4-7/h1-4,7H,5-6H2,(H,11,13).
What are the key properties of 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride?
3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride has a molecular weight of 183.18 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenta-2,4-diene-1-carbonylamino)propanoyl fluoride is sourced from PubChem (CID 102336221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).