6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C15H20N2O2 — CID 23554738

IUPAC6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(C2CC=CCC2)CCc2ccoc21
InChIInChI=1S/C15H20N2O2/c1-16-13-14-11(8-10-19-14)7-9-17(15(13)18)12-5-3-2-4-6-12/h2-3,8,10,12-13,16H,4-7,9H2,1H3
InChIKeyNDFAOUGPPPIJLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.03
Rot. Bonds2

About 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554738) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554738
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(C2CC=CCC2)CCc2ccoc21
InChIInChI=1S/C15H20N2O2/c1-16-13-14-11(8-10-19-14)7-9-17(15(13)18)12-5-3-2-4-6-12/h2-3,8,10,12-13,16H,4-7,9H2,1H3
InChIKeyNDFAOUGPPPIJLD-UHFFFAOYSA-N
XLogP2.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554738) is 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(C2CC=CCC2)CCc2ccoc21.
What is the InChIKey of 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is NDFAOUGPPPIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-13-14-11(8-10-19-14)7-9-17(15(13)18)12-5-3-2-4-6-12/h2-3,8,10,12-13,16H,4-7,9H2,1H3.
What are the key properties of 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 260.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).