molecular hydrogen;N-propan-2-ylprop-2-ynamide

C6H11NO — CID 164911738

IUPACmolecular hydrogen;N-propan-2-ylprop-2-ynamide
SMILESC#CC(=O)NC(C)C.[H][H]
InChIInChI=1S/C6H9NO.H2/c1-4-6(8)7-5(2)3;/h1,5H,2-3H3,(H,7,8);1H
InChIKeyMAKGEXZCSJOWHP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.39
Rot. Bonds1

About molecular hydrogen;N-propan-2-ylprop-2-ynamide

molecular hydrogen;N-propan-2-ylprop-2-ynamide (PubChem CID 164911738) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-ylprop-2-ynamide.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-ylprop-2-ynamide
PubChem CID164911738
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namemolecular hydrogen;N-propan-2-ylprop-2-ynamide
SMILESC#CC(=O)NC(C)C.[H][H]
InChIInChI=1S/C6H9NO.H2/c1-4-6(8)7-5(2)3;/h1,5H,2-3H3,(H,7,8);1H
InChIKeyMAKGEXZCSJOWHP-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-ylprop-2-ynamide?
The IUPAC name of molecular hydrogen;N-propan-2-ylprop-2-ynamide (CID 164911738) is molecular hydrogen;N-propan-2-ylprop-2-ynamide.
What is the SMILES notation for molecular hydrogen;N-propan-2-ylprop-2-ynamide?
The canonical SMILES for molecular hydrogen;N-propan-2-ylprop-2-ynamide is C#CC(=O)NC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-ylprop-2-ynamide?
The InChIKey is MAKGEXZCSJOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.H2/c1-4-6(8)7-5(2)3;/h1,5H,2-3H3,(H,7,8);1H.
What are the key properties of molecular hydrogen;N-propan-2-ylprop-2-ynamide?
molecular hydrogen;N-propan-2-ylprop-2-ynamide has a molecular weight of 113.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-ylprop-2-ynamide is sourced from PubChem (CID 164911738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).