2,2-dimethyl-N-prop-2-ynylpropanamide

C8H13NO — CID 11051729

IUPAC2,2-dimethyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-9-7(10)8(2,3)4/h1H,6H2,2-4H3,(H,9,10)
InChIKeyMQXDYFFSZNHJNI-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.78
Rot. Bonds1

About 2,2-dimethyl-N-prop-2-ynylpropanamide

2,2-dimethyl-N-prop-2-ynylpropanamide (PubChem CID 11051729) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-ynylpropanamide
PubChem CID11051729
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,2-dimethyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(C)C
InChIInChI=1S/C8H13NO/c1-5-6-9-7(10)8(2,3)4/h1H,6H2,2-4H3,(H,9,10)
InChIKeyMQXDYFFSZNHJNI-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.78
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 2,2-dimethyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2,2-dimethyl-N-prop-2-ynylpropanamide (CID 11051729) is 2,2-dimethyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-2-ynylpropanamide?
The InChIKey is MQXDYFFSZNHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-6-9-7(10)8(2,3)4/h1H,6H2,2-4H3,(H,9,10).
What are the key properties of 2,2-dimethyl-N-prop-2-ynylpropanamide?
2,2-dimethyl-N-prop-2-ynylpropanamide has a molecular weight of 139.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 11051729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).