spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]

C13H17NO — CID 934977

IUPACspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
SMILESc1ccc2c(c1)COC1(CCCCC1)N2
InChIInChI=1S/C13H17NO/c1-4-8-13(9-5-1)14-12-7-3-2-6-11(12)10-15-13/h2-3,6-7,14H,1,4-5,8-10H2
InChIKeyRGGVYHFOKLHTAX-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.29
Rot. Bonds

About spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]

spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] (PubChem CID 934977) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
PubChem CID934977
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Namespiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
SMILESc1ccc2c(c1)COC1(CCCCC1)N2
InChIInChI=1S/C13H17NO/c1-4-8-13(9-5-1)14-12-7-3-2-6-11(12)10-15-13/h2-3,6-7,14H,1,4-5,8-10H2
InChIKeyRGGVYHFOKLHTAX-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The IUPAC name of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] (CID 934977) is spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane].
What is the SMILES notation for spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The canonical SMILES for spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] is c1ccc2c(c1)COC1(CCCCC1)N2.
What is the InChIKey of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The InChIKey is RGGVYHFOKLHTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-8-13(9-5-1)14-12-7-3-2-6-11(12)10-15-13/h2-3,6-7,14H,1,4-5,8-10H2.
What are the key properties of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] has a molecular weight of 203.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] is sourced from PubChem (CID 934977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).