2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide

C9H16N2O2 — CID 62065614

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)7-11-6-8-4-2-3-5-13-8/h3,5,8,11H,2,4,6-7H2,1H3,(H,10,12)
InChIKeyFRMYBZXDJNQNOH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.01
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide (PubChem CID 62065614) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide
PubChem CID62065614
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide
SMILESCNC(=O)CNCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c1-10-9(12)7-11-6-8-4-2-3-5-13-8/h3,5,8,11H,2,4,6-7H2,1H3,(H,10,12)
InChIKeyFRMYBZXDJNQNOH-UHFFFAOYSA-N
XLogP0.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide (CID 62065614) is 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide is CNC(=O)CNCC1CCC=CO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide?
The InChIKey is FRMYBZXDJNQNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-9(12)7-11-6-8-4-2-3-5-13-8/h3,5,8,11H,2,4,6-7H2,1H3,(H,10,12).
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide?
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide has a molecular weight of 184.24 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylacetamide is sourced from PubChem (CID 62065614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).