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

C13H18N2O2 — CID 23554886

IUPAC6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CC2)CCc2ccoc21
InChIInChI=1S/C13H18N2O2/c1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyQZHZZHZUYZHUEK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds3

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

6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 23554886) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID23554886
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2CC2)CCc2ccoc21
InChIInChI=1S/C13H18N2O2/c1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyQZHZZHZUYZHUEK-UHFFFAOYSA-N
XLogP1.33
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 23554886) is 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(CC2CC2)CCc2ccoc21.
What is the InChIKey of 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is QZHZZHZUYZHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-11-12-10(5-7-17-12)4-6-15(13(11)16)8-9-2-3-9/h5,7,9,11,14H,2-4,6,8H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 234.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 23554886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).