2-cyclopropyl-N-methylacetamide

C6H11NO — CID 57277298

IUPAC2-cyclopropyl-N-methylacetamide
SMILESCNC(=O)CC1CC1
InChIInChI=1S/C6H11NO/c1-7-6(8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKLGVWITWFZDHIX-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.53
Rot. Bonds2

About 2-cyclopropyl-N-methylacetamide

2-cyclopropyl-N-methylacetamide (PubChem CID 57277298) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methylacetamide
PubChem CID57277298
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-cyclopropyl-N-methylacetamide
SMILESCNC(=O)CC1CC1
InChIInChI=1S/C6H11NO/c1-7-6(8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKLGVWITWFZDHIX-UHFFFAOYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-cyclopropyl-N-methylacetamide (CID 57277298) is 2-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-cyclopropyl-N-methylacetamide is CNC(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-methylacetamide?
The InChIKey is KLGVWITWFZDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-6(8)4-5-2-3-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-cyclopropyl-N-methylacetamide?
2-cyclopropyl-N-methylacetamide has a molecular weight of 113.16 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 57277298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).