[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone

C15H23NO2 — CID 102418349

IUPAC[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)=CCC1=C(C(=O)N2CCCC2)OCCC1
InChIInChI=1S/C15H23NO2/c1-12(2)7-8-13-6-5-11-18-14(13)15(17)16-9-3-4-10-16/h7H,3-6,8-11H2,1-2H3
InChIKeyRBZDZDXZTJNBHW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.03
Rot. Bonds3

About [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone

[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 102418349) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID102418349
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)=CCC1=C(C(=O)N2CCCC2)OCCC1
InChIInChI=1S/C15H23NO2/c1-12(2)7-8-13-6-5-11-18-14(13)15(17)16-9-3-4-10-16/h7H,3-6,8-11H2,1-2H3
InChIKeyRBZDZDXZTJNBHW-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
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 [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone (CID 102418349) is [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone is CC(C)=CCC1=C(C(=O)N2CCCC2)OCCC1.
What is the InChIKey of [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RBZDZDXZTJNBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)7-8-13-6-5-11-18-14(13)15(17)16-9-3-4-10-16/h7H,3-6,8-11H2,1-2H3.
What are the key properties of [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone?
[5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 249.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 102418349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).