3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide

C9H16N2O2 — CID 62066714

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c10-9(12)4-5-11-7-8-3-1-2-6-13-8/h2,6,8,11H,1,3-5,7H2,(H2,10,12)
InChIKeyDEYIYMKCDQCWAX-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.14
Rot. Bonds5

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

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (PubChem CID 62066714) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
PubChem CID62066714
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESNC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C9H16N2O2/c10-9(12)4-5-11-7-8-3-1-2-6-13-8/h2,6,8,11H,1,3-5,7H2,(H2,10,12)
InChIKeyDEYIYMKCDQCWAX-UHFFFAOYSA-N
XLogP0.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (CID 62066714) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is NC(=O)CCNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The InChIKey is DEYIYMKCDQCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(12)4-5-11-7-8-3-1-2-6-13-8/h2,6,8,11H,1,3-5,7H2,(H2,10,12).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is sourced from PubChem (CID 62066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).