[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol

C9H13NO2 — CID 129214884

IUPAC[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol
SMILESC/C=C1\ONC=C(CO)C=C1C
InChIInChI=1S/C9H13NO2/c1-3-9-7(2)4-8(6-11)5-10-12-9/h3-5,10-11H,6H2,1-2H3/b9-3-
InChIKeyPZLBUPKQKXIBLY-OQFOIZHKSA-N
MW167.21 g/mol
LogP1.25
Rot. Bonds1

About [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol

[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol (PubChem CID 129214884) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol.

Molecular Properties

Compound Name[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol
PubChem CID129214884
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol
SMILESC/C=C1\ONC=C(CO)C=C1C
InChIInChI=1S/C9H13NO2/c1-3-9-7(2)4-8(6-11)5-10-12-9/h3-5,10-11H,6H2,1-2H3/b9-3-
InChIKeyPZLBUPKQKXIBLY-OQFOIZHKSA-N
XLogP1.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol?
The IUPAC name of [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol (CID 129214884) is [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol.
What is the SMILES notation for [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol?
The canonical SMILES for [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol is C/C=C1\ONC=C(CO)C=C1C.
What is the InChIKey of [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol?
The InChIKey is PZLBUPKQKXIBLY-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-9-7(2)4-8(6-11)5-10-12-9/h3-5,10-11H,6H2,1-2H3/b9-3-.
What are the key properties of [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol?
[(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol has a molecular weight of 167.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7Z)-7-ethylidene-6-methyl-2H-oxazepin-4-yl]methanol is sourced from PubChem (CID 129214884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).