2-chloro-N-pent-3-ynylacetamide

C7H10ClNO — CID 116643290

IUPAC2-chloro-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CCl
InChIInChI=1S/C7H10ClNO/c1-2-3-4-5-9-7(10)6-8/h4-6H2,1H3,(H,9,10)
InChIKeyAXKBLJVDCKAIJD-UHFFFAOYSA-N
MW159.62 g/mol
LogP0.75
Rot. Bonds3

About 2-chloro-N-pent-3-ynylacetamide

2-chloro-N-pent-3-ynylacetamide (PubChem CID 116643290) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 2-chloro-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-chloro-N-pent-3-ynylacetamide
PubChem CID116643290
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name2-chloro-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CCl
InChIInChI=1S/C7H10ClNO/c1-2-3-4-5-9-7(10)6-8/h4-6H2,1H3,(H,9,10)
InChIKeyAXKBLJVDCKAIJD-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-pent-3-ynylbutanamide
CID 115977312
2-cyclopropyl-N-pent-3-ynylacetamide
CID 104581149
1-methyl-3-pent-3-ynylurea
CID 116645214
N-pent-3-ynylbut-2-ynamide
CID 107992893
N-pent-3-ynylprop-2-ynamide
CID 104581196
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
3-ethoxy-N-pent-3-ynylpropanamide
CID 115977143
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322
ethyl 4-oxo-4-(pent-3-ynylamino)butanoate
CID 104581218
2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
CID 10993436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-3-ynylacetamide?
The IUPAC name of 2-chloro-N-pent-3-ynylacetamide (CID 116643290) is 2-chloro-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-chloro-N-pent-3-ynylacetamide?
The canonical SMILES for 2-chloro-N-pent-3-ynylacetamide is CC#CCCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-pent-3-ynylacetamide?
The InChIKey is AXKBLJVDCKAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-2-3-4-5-9-7(10)6-8/h4-6H2,1H3,(H,9,10).
What are the key properties of 2-chloro-N-pent-3-ynylacetamide?
2-chloro-N-pent-3-ynylacetamide has a molecular weight of 159.62 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pent-3-ynylacetamide is sourced from PubChem (CID 116643290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).