1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one

C12H18N2O2 — CID 20589731

IUPAC1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(c2ccoc2)C1=O
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3
InChIKeyQADXXHZVDVCMQE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.77
Rot. Bonds2

About 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one

1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one (PubChem CID 20589731) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
PubChem CID20589731
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(c2ccoc2)C1=O
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3
InChIKeyQADXXHZVDVCMQE-UHFFFAOYSA-N
XLogP1.77
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one
CID 20589713
1-(Furan-3-yl)-3-(methylamino)azepan-2-one
CID 20589723
1-(Furan-3-yl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589724
1-(Furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one
CID 20589725
1-(Furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589726
1-(Furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one
CID 20589727
1-(Furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589728
1-(Furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one
CID 20589729
1-(Furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 20589730
4-(Furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
CID 20589881
4-(Furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
CID 20589882
3-(Furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20589983

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one (CID 20589731) is 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(c2ccoc2)C1=O.
What is the InChIKey of 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is QADXXHZVDVCMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-3-5-11(13-2)12(15)14(9)10-6-7-16-8-10/h6-9,11,13H,3-5H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one?
1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20589731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).