1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

C14H20N2O2 — CID 23555019

IUPAC1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1CCC2CCCC2N(c2ccoc2)C1=O
InChIInChI=1S/C14H20N2O2/c1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11/h7-10,12-13,15H,2-6H2,1H3
InChIKeyFELHSOLHDWQXLI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds2

About 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one

1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (PubChem CID 23555019) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
PubChem CID23555019
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
SMILESCNC1CCC2CCCC2N(c2ccoc2)C1=O
InChIInChI=1S/C14H20N2O2/c1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11/h7-10,12-13,15H,2-6H2,1H3
InChIKeyFELHSOLHDWQXLI-UHFFFAOYSA-N
XLogP2.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one with MolForge

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Related Compounds

3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554925
1-ethyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554439
3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
CID 20589983
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554946
1-(2-methoxyethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23555016
1-(4,5-dihydro-1,3-oxazol-4-ylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 71173599
1-(6-bicyclo[3.2.1]octanylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23555023
3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554981
1-(cycloheptylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclohexylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclopentylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 160575337
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one
CID 161066266
4-methyl-3-(methylamino)-1-thiophen-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 21366203
3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one
CID 20798969

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The IUPAC name of 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one (CID 23555019) is 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one.
What is the SMILES notation for 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The canonical SMILES for 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is CNC1CCC2CCCC2N(c2ccoc2)C1=O.
What is the InChIKey of 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
The InChIKey is FELHSOLHDWQXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-12-6-5-10-3-2-4-13(10)16(14(12)17)11-7-8-18-9-11/h7-10,12-13,15H,2-6H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one?
1-(furan-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.16, 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)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one is sourced from PubChem (CID 23555019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).