(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol

C12H17NO2 — CID 143533168

IUPAC(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol
SMILESCC1(C)C=CC2=C(C=C1)OCC(CO)N2
InChIInChI=1S/C12H17NO2/c1-12(2)5-3-10-11(4-6-12)15-8-9(7-14)13-10/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyLLJMYIPYJWYSHX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.33
Rot. Bonds1

About (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol

(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol (PubChem CID 143533168) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol.

Molecular Properties

Compound Name(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol
PubChem CID143533168
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol
SMILESCC1(C)C=CC2=C(C=C1)OCC(CO)N2
InChIInChI=1S/C12H17NO2/c1-12(2)5-3-10-11(4-6-12)15-8-9(7-14)13-10/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyLLJMYIPYJWYSHX-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol?
The IUPAC name of (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol (CID 143533168) is (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol.
What is the SMILES notation for (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol?
The canonical SMILES for (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol is CC1(C)C=CC2=C(C=C1)OCC(CO)N2.
What is the InChIKey of (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol?
The InChIKey is LLJMYIPYJWYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)5-3-10-11(4-6-12)15-8-9(7-14)13-10/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol?
(7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-3,4-dihydro-2H-cyclohepta[b][1,4]oxazin-3-yl)methanol is sourced from PubChem (CID 143533168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).