N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide

C10H17NO2 — CID 58548429

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1=CCOCC1
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h3,8H,4-7H2,1-2H3,(H,11,12)
InChIKeyAZGLIWKRLQELHH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.11
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide (PubChem CID 58548429) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
PubChem CID58548429
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1=CCOCC1
InChIInChI=1S/C10H17NO2/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h3,8H,4-7H2,1-2H3,(H,11,12)
InChIKeyAZGLIWKRLQELHH-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide (CID 58548429) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC1=CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide?
The InChIKey is AZGLIWKRLQELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)10(12)11-7-9-3-5-13-6-4-9/h3,8H,4-7H2,1-2H3,(H,11,12).
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide has a molecular weight of 183.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 58548429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).