2-iodo-N-prop-2-ynylpropanamide

C6H8INO — CID 64789120

IUPAC2-iodo-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)I
InChIInChI=1S/C6H8INO/c1-3-4-8-6(9)5(2)7/h1,5H,4H2,2H3,(H,8,9)
InChIKeyNXXHCBCSOVWZQD-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.56
Rot. Bonds2

About 2-iodo-N-prop-2-ynylpropanamide

2-iodo-N-prop-2-ynylpropanamide (PubChem CID 64789120) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-iodo-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-iodo-N-prop-2-ynylpropanamide
PubChem CID64789120
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name2-iodo-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)I
InChIInChI=1S/C6H8INO/c1-3-4-8-6(9)5(2)7/h1,5H,4H2,2H3,(H,8,9)
InChIKeyNXXHCBCSOVWZQD-UHFFFAOYSA-N
XLogP0.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-prop-2-ynylurea
CID 14344955
(2S)-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]propanoic acid
CID 104876435
2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpropanoic acid
CID 24704964
2-methyl-N-prop-2-ynylpentanamide
CID 60707067
methyl (2R)-2-methyl-3-oxo-3-(prop-2-ynylamino)propanoate
CID 124583347
2-iodo-N-propylpropanamide
CID 64787589
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
2-amino-3-methyl-N-prop-2-ynylbutanamide;carbamic acid
CID 174812403
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
CID 112726197

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-prop-2-ynylpropanamide?
The IUPAC name of 2-iodo-N-prop-2-ynylpropanamide (CID 64789120) is 2-iodo-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-iodo-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-iodo-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)I.
What is the InChIKey of 2-iodo-N-prop-2-ynylpropanamide?
The InChIKey is NXXHCBCSOVWZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO/c1-3-4-8-6(9)5(2)7/h1,5H,4H2,2H3,(H,8,9).
What are the key properties of 2-iodo-N-prop-2-ynylpropanamide?
2-iodo-N-prop-2-ynylpropanamide has a molecular weight of 237.04 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-prop-2-ynylpropanamide is sourced from PubChem (CID 64789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).