2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one

C10H14N2O2 — CID 10655430

IUPAC2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one
SMILESCc1nc2c(o1)CC(C)(C)CNC2=O
InChIInChI=1S/C10H14N2O2/c1-6-12-8-7(14-6)4-10(2,3)5-11-9(8)13/h4-5H2,1-3H3,(H,11,13)
InChIKeyMPDZFHVLSODCEW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.30
Rot. Bonds

About 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one

2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one (PubChem CID 10655430) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one
PubChem CID10655430
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one
SMILESCc1nc2c(o1)CC(C)(C)CNC2=O
InChIInChI=1S/C10H14N2O2/c1-6-12-8-7(14-6)4-10(2,3)5-11-9(8)13/h4-5H2,1-3H3,(H,11,13)
InChIKeyMPDZFHVLSODCEW-UHFFFAOYSA-N
XLogP1.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one?
The IUPAC name of 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one (CID 10655430) is 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one.
What is the SMILES notation for 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one?
The canonical SMILES for 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one is Cc1nc2c(o1)CC(C)(C)CNC2=O.
What is the InChIKey of 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one?
The InChIKey is MPDZFHVLSODCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-12-8-7(14-6)4-10(2,3)5-11-9(8)13/h4-5H2,1-3H3,(H,11,13).
What are the key properties of 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one?
2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,7-trimethyl-6,8-dihydro-5H-[1,3]oxazolo[4,5-c]azepin-4-one is sourced from PubChem (CID 10655430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).