N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide

C9H15NO2 — CID 58548434

IUPACN-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1C=COCC1
InChIInChI=1S/C9H15NO2/c1-7(2)9(11)10-8-3-5-12-6-4-8/h3,5,7-8H,4,6H2,1-2H3,(H,10,11)
InChIKeyMBMLWUXVPRFODF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds2

About N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide

N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide (PubChem CID 58548434) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide
PubChem CID58548434
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1C=COCC1
InChIInChI=1S/C9H15NO2/c1-7(2)9(11)10-8-3-5-12-6-4-8/h3,5,7-8H,4,6H2,1-2H3,(H,10,11)
InChIKeyMBMLWUXVPRFODF-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide (CID 58548434) is N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide is CC(C)C(=O)NC1C=COCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide?
The InChIKey is MBMLWUXVPRFODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)9(11)10-8-3-5-12-6-4-8/h3,5,7-8H,4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide?
N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide has a molecular weight of 169.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-4-yl)-2-methylpropanamide is sourced from PubChem (CID 58548434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).