4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid

C15H19NO3 — CID 154994787

IUPAC4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCCN2C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-15(18)11-6-7-13-14(10-11)19-9-8-16(13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18)
InChIKeyIMIGJPGCTSSUSH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds2

About 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid

4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid (PubChem CID 154994787) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
PubChem CID154994787
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OCCN2C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-15(18)11-6-7-13-14(10-11)19-9-8-16(13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18)
InChIKeyIMIGJPGCTSSUSH-UHFFFAOYSA-N
XLogP2.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid?
The IUPAC name of 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid (CID 154994787) is 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid is O=C(O)c1ccc2c(c1)OCCN2C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid?
The InChIKey is IMIGJPGCTSSUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)11-6-7-13-14(10-11)19-9-8-16(13)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,17,18).
What are the key properties of 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid?
4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid is sourced from PubChem (CID 154994787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).