2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one

C14H23NO2 — CID 102651009

IUPAC2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCCCCC1
InChIInChI=1S/C14H23NO2/c1-14(2,13(16)12-8-7-11-17-12)15-9-5-3-4-6-10-15/h8H,3-7,9-11H2,1-2H3
InChIKeyXSMOVJZIYWMQIO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds3

About 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one

2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one (PubChem CID 102651009) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
PubChem CID102651009
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCO1)N1CCCCCC1
InChIInChI=1S/C14H23NO2/c1-14(2,13(16)12-8-7-11-17-12)15-9-5-3-4-6-10-15/h8H,3-7,9-11H2,1-2H3
InChIKeyXSMOVJZIYWMQIO-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one (CID 102651009) is 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one is CC(C)(C(=O)C1=CCCO1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
The InChIKey is XSMOVJZIYWMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,13(16)12-8-7-11-17-12)15-9-5-3-4-6-10-15/h8H,3-7,9-11H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one?
2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 102651009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).