2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one

C10H12N2O2 — CID 67356471

IUPAC2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
SMILESCCc1ncc2c(n1)CCCC(=O)O2
InChIInChI=1S/C10H12N2O2/c1-2-9-11-6-8-7(12-9)4-3-5-10(13)14-8/h6H,2-5H2,1H3
InChIKeyAOWHLCSLBGMQRT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.28
Rot. Bonds1

About 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one

2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one (PubChem CID 67356471) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
PubChem CID67356471
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one
SMILESCCc1ncc2c(n1)CCCC(=O)O2
InChIInChI=1S/C10H12N2O2/c1-2-9-11-6-8-7(12-9)4-3-5-10(13)14-8/h6H,2-5H2,1H3
InChIKeyAOWHLCSLBGMQRT-UHFFFAOYSA-N
XLogP1.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The IUPAC name of 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one (CID 67356471) is 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The canonical SMILES for 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one is CCc1ncc2c(n1)CCCC(=O)O2.
What is the InChIKey of 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
The InChIKey is AOWHLCSLBGMQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-9-11-6-8-7(12-9)4-3-5-10(13)14-8/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one?
2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one has a molecular weight of 192.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8,9-dihydro-7H-oxepino[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 67356471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).