7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one

C9H11NO2 — CID 82414662

IUPAC7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
SMILESCC1Cc2occc2C(=O)CN1
InChIInChI=1S/C9H11NO2/c1-6-4-9-7(2-3-12-9)8(11)5-10-6/h2-3,6,10H,4-5H2,1H3
InChIKeyLGSQQQKHJZQOAH-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.00
Rot. Bonds

About 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one

7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one (PubChem CID 82414662) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one.

Molecular Properties

Compound Name7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
PubChem CID82414662
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one
SMILESCC1Cc2occc2C(=O)CN1
InChIInChI=1S/C9H11NO2/c1-6-4-9-7(2-3-12-9)8(11)5-10-6/h2-3,6,10H,4-5H2,1H3
InChIKeyLGSQQQKHJZQOAH-UHFFFAOYSA-N
XLogP1.00
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-furo[2,3-c]pyridin-4-one
CID 13365221
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
methyl 4-oxo-6,7-dihydro-5H-furo[2,3-c]pyridine-7-carboxylate
CID 69345761
5,6-dihydrofuro[2,3-b]pyrrol-4-one
CID 96637935
2,5-dimethyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
CID 82400016
5-ethyl-7,8-dihydrofuro[2,3-e][1,3]diazepine-4,6-dione
CID 102501631
2-bromo-5-methyl-4,5,6,7-tetrahydrothieno[2,3-d]azepin-8-one
CID 82380146
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
CID 86047582
6-methyl-1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridin-2-one
CID 45083024
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243
4-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
CID 82417304

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one?
The IUPAC name of 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one (CID 82414662) is 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one.
What is the SMILES notation for 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one?
The canonical SMILES for 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one is CC1Cc2occc2C(=O)CN1.
What is the InChIKey of 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one?
The InChIKey is LGSQQQKHJZQOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-4-9-7(2-3-12-9)8(11)5-10-6/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one?
7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one has a molecular weight of 165.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6,7,8-tetrahydrofuro[2,3-d]azepin-4-one is sourced from PubChem (CID 82414662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).