N-(2-hydroxyethyl)-3-iodoprop-2-ynamide

C5H6INO2 — CID 139991392

IUPACN-(2-hydroxyethyl)-3-iodoprop-2-ynamide
SMILESO=C(C#CI)NCCO
InChIInChI=1S/C5H6INO2/c6-2-1-5(9)7-3-4-8/h8H,3-4H2,(H,7,9)
InChIKeyJRJVCRDUZHWZGH-UHFFFAOYSA-N
MW239.01 g/mol
LogP-0.51
Rot. Bonds2

About N-(2-hydroxyethyl)-3-iodoprop-2-ynamide

N-(2-hydroxyethyl)-3-iodoprop-2-ynamide (PubChem CID 139991392) has the molecular formula C5H6INO2 and a molecular weight of 239.01 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-iodoprop-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-iodoprop-2-ynamide
PubChem CID139991392
Molecular FormulaC5H6INO2
Molecular Weight239.01 g/mol
Exact Mass238.94
IUPAC NameN-(2-hydroxyethyl)-3-iodoprop-2-ynamide
SMILESO=C(C#CI)NCCO
InChIInChI=1S/C5H6INO2/c6-2-1-5(9)7-3-4-8/h8H,3-4H2,(H,7,9)
InChIKeyJRJVCRDUZHWZGH-UHFFFAOYSA-N
XLogP-0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxybutyl)-3-iodoprop-2-ynamide
CID 139991382
3-bromo-N-(4-hydroxybutyl)prop-2-ynamide
CID 131208647
N-(2-hydroxyethyl)-4-(oxiran-2-ylamino)oxybut-2-ynamide
CID 59696082
2-hydroxyethylurea;iron
CID 174789558
3-(2-hydroxyethyl)-1-methyl-1-sulfanylurea
CID 88764486
N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
CID 108513733
ethane;2-hydroxyethylurea
CID 144763401
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
[2-(2-hydroxyethylamino)-2-oxoethylidene]-dimethylazanium
CID 90929716
1-(2-hydroxyethyl)-3-(3,3,3-trifluoropropyl)urea
CID 111474094
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-iodoprop-2-ynamide?
The IUPAC name of N-(2-hydroxyethyl)-3-iodoprop-2-ynamide (CID 139991392) is N-(2-hydroxyethyl)-3-iodoprop-2-ynamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-iodoprop-2-ynamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-iodoprop-2-ynamide is O=C(C#CI)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-iodoprop-2-ynamide?
The InChIKey is JRJVCRDUZHWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO2/c6-2-1-5(9)7-3-4-8/h8H,3-4H2,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)-3-iodoprop-2-ynamide?
N-(2-hydroxyethyl)-3-iodoprop-2-ynamide has a molecular weight of 239.01 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-iodoprop-2-ynamide is sourced from PubChem (CID 139991392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).