3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine

C15H15NO — CID 122491961

IUPAC3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)Oc1ccccc1CC2
InChIInChI=1S/C15H15NO/c1-2-13-9-12-8-7-11-5-3-4-6-14(11)17-15(12)10-16-13/h3-6,9-10H,2,7-8H2,1H3
InChIKeyDCPODVYHMABBBF-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.53
Rot. Bonds1

About 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine

3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine (PubChem CID 122491961) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine
PubChem CID122491961
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)Oc1ccccc1CC2
InChIInChI=1S/C15H15NO/c1-2-13-9-12-8-7-11-5-3-4-6-14(11)17-15(12)10-16-13/h3-6,9-10H,2,7-8H2,1H3
InChIKeyDCPODVYHMABBBF-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine?
The IUPAC name of 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine (CID 122491961) is 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine.
What is the SMILES notation for 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine?
The canonical SMILES for 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine is CCc1cc2c(cn1)Oc1ccccc1CC2.
What is the InChIKey of 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine?
The InChIKey is DCPODVYHMABBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-13-9-12-8-7-11-5-3-4-6-14(11)17-15(12)10-16-13/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine?
3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine has a molecular weight of 225.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine is sourced from PubChem (CID 122491961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).