3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone

C13H21NO2 — CID 71925505

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C13H21NO2/c1-11-5-4-8-14(9-7-11)13(15)12-6-2-3-10-16-12/h6,11H,2-5,7-10H2,1H3
InChIKeyHZPVFSDYLAEMCU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds1

About 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone (PubChem CID 71925505) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone
PubChem CID71925505
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C13H21NO2/c1-11-5-4-8-14(9-7-11)13(15)12-6-2-3-10-16-12/h6,11H,2-5,7-10H2,1H3
InChIKeyHZPVFSDYLAEMCU-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone (CID 71925505) is 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone is CC1CCCN(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone?
The InChIKey is HZPVFSDYLAEMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-4-8-14(9-7-11)13(15)12-6-2-3-10-16-12/h6,11H,2-5,7-10H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 71925505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).