1-[methyl(prop-2-ynyl)amino]propan-2-one

C7H11NO — CID 58018115

IUPAC1-[methyl(prop-2-ynyl)amino]propan-2-one
SMILESC#CCN(C)CC(C)=O
InChIInChI=1S/C7H11NO/c1-4-5-8(3)6-7(2)9/h1H,5-6H2,2-3H3
InChIKeyBZOZZXAEOZINOK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.14
Rot. Bonds3

About 1-[methyl(prop-2-ynyl)amino]propan-2-one

1-[methyl(prop-2-ynyl)amino]propan-2-one (PubChem CID 58018115) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-[methyl(prop-2-ynyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl(prop-2-ynyl)amino]propan-2-one
PubChem CID58018115
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-[methyl(prop-2-ynyl)amino]propan-2-one
SMILESC#CCN(C)CC(C)=O
InChIInChI=1S/C7H11NO/c1-4-5-8(3)6-7(2)9/h1H,5-6H2,2-3H3
InChIKeyBZOZZXAEOZINOK-UHFFFAOYSA-N
XLogP0.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[methyl(prop-2-ynyl)amino]propan-2-one?
The IUPAC name of 1-[methyl(prop-2-ynyl)amino]propan-2-one (CID 58018115) is 1-[methyl(prop-2-ynyl)amino]propan-2-one.
What is the SMILES notation for 1-[methyl(prop-2-ynyl)amino]propan-2-one?
The canonical SMILES for 1-[methyl(prop-2-ynyl)amino]propan-2-one is C#CCN(C)CC(C)=O.
What is the InChIKey of 1-[methyl(prop-2-ynyl)amino]propan-2-one?
The InChIKey is BZOZZXAEOZINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-8(3)6-7(2)9/h1H,5-6H2,2-3H3.
What are the key properties of 1-[methyl(prop-2-ynyl)amino]propan-2-one?
1-[methyl(prop-2-ynyl)amino]propan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-ynyl)amino]propan-2-one is sourced from PubChem (CID 58018115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).