5-tritiopent-2-enoyl chloride

C5H7ClO — CID 59970974

IUPAC5-tritiopent-2-enoyl chloride
SMILES[3H]CCC=CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/i1T
InChIKeyOTTYFDRFBJPGRW-CNRUNOGKSA-N
MW120.57 g/mol
LogP1.72
Rot. Bonds3

About 5-tritiopent-2-enoyl chloride

5-tritiopent-2-enoyl chloride (PubChem CID 59970974) has the molecular formula C5H7ClO and a molecular weight of 120.57 g/mol. Its IUPAC name is 5-tritiopent-2-enoyl chloride.

Molecular Properties

Compound Name5-tritiopent-2-enoyl chloride
PubChem CID59970974
Molecular FormulaC5H7ClO
Molecular Weight120.57 g/mol
Exact Mass120.03
IUPAC Name5-tritiopent-2-enoyl chloride
SMILES[3H]CCC=CC(=O)Cl
InChIInChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/i1T
InChIKeyOTTYFDRFBJPGRW-CNRUNOGKSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.57
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trans-Crotonyl chloride
CID 643131
2-Butenoyl chloride
CID 79080
3-Pentenoyl chloride
CID 176891
(E)-hept-2-enoyl chloride
CID 5706481
3-Pentenoyl chloride, (3E)-
CID 6442180
cis-But-2-enoyl chloride
CID 12215102
Pent-2-enoyl chloride
CID 2760310
(E)-hex-2-enoyl chloride
CID 5706484
(E)-pent-2-enoyl chloride
CID 5706546
(E)-4-methylpent-2-enoyl Chloride
CID 10986269
(2E)-hepta-2,6-dienoyl chloride
CID 11147795
4-Oxopent-2-enoic chloride
CID 13296686

Frequently Asked Questions

What is the IUPAC name of 5-tritiopent-2-enoyl chloride?
The IUPAC name of 5-tritiopent-2-enoyl chloride (CID 59970974) is 5-tritiopent-2-enoyl chloride.
What is the SMILES notation for 5-tritiopent-2-enoyl chloride?
The canonical SMILES for 5-tritiopent-2-enoyl chloride is [3H]CCC=CC(=O)Cl.
What is the InChIKey of 5-tritiopent-2-enoyl chloride?
The InChIKey is OTTYFDRFBJPGRW-CNRUNOGKSA-N. The full InChI is InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3/i1T.
What are the key properties of 5-tritiopent-2-enoyl chloride?
5-tritiopent-2-enoyl chloride has a molecular weight of 120.57 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tritiopent-2-enoyl chloride is sourced from PubChem (CID 59970974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).