N-(2-chloroprop-2-enyl)but-2-ynamide

C7H8ClNO — CID 106741496

IUPACN-(2-chloroprop-2-enyl)but-2-ynamide
SMILESC=C(Cl)CNC(=O)C#CC
InChIInChI=1S/C7H8ClNO/c1-3-4-7(10)9-5-6(2)8/h2,5H2,1H3,(H,9,10)
InChIKeyRIWBEXQHBFIZIT-UHFFFAOYSA-N
MW157.60 g/mol
LogP0.88
Rot. Bonds2

About N-(2-chloroprop-2-enyl)but-2-ynamide

N-(2-chloroprop-2-enyl)but-2-ynamide (PubChem CID 106741496) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)but-2-ynamide
PubChem CID106741496
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC NameN-(2-chloroprop-2-enyl)but-2-ynamide
SMILESC=C(Cl)CNC(=O)C#CC
InChIInChI=1S/C7H8ClNO/c1-3-4-7(10)9-5-6(2)8/h2,5H2,1H3,(H,9,10)
InChIKeyRIWBEXQHBFIZIT-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)but-2-ynamide
CID 130709523
N-(2-chloroprop-2-enyl)-4-oxopentanamide
CID 115640756
N-[2-(2-methylprop-2-enoxy)ethyl]but-2-ynamide
CID 107989485
6-(but-2-ynoylamino)hexanoic acid
CID 107986364
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide
CID 130665491
3-(but-2-ynoylamino)propanoic acid
CID 107986385
N-[[4-(hydroxymethyl)phenyl]methyl]but-2-ynamide
CID 107989017
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-(2,2-difluoro-3-hydroxypropyl)but-2-ynamide
CID 106168461
N-[2-(dimethylamino)propyl]but-2-ynamide
CID 130725758

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)but-2-ynamide?
The IUPAC name of N-(2-chloroprop-2-enyl)but-2-ynamide (CID 106741496) is N-(2-chloroprop-2-enyl)but-2-ynamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)but-2-ynamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)but-2-ynamide is C=C(Cl)CNC(=O)C#CC.
What is the InChIKey of N-(2-chloroprop-2-enyl)but-2-ynamide?
The InChIKey is RIWBEXQHBFIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-3-4-7(10)9-5-6(2)8/h2,5H2,1H3,(H,9,10).
What are the key properties of N-(2-chloroprop-2-enyl)but-2-ynamide?
N-(2-chloroprop-2-enyl)but-2-ynamide has a molecular weight of 157.60 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)but-2-ynamide is sourced from PubChem (CID 106741496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).