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

C14H19NO — CID 947571

IUPAC4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
SMILESCC1CCC2(CC1)Nc1ccccc1CO2
InChIInChI=1S/C14H19NO/c1-11-6-8-14(9-7-11)15-13-5-3-2-4-12(13)10-16-14/h2-5,11,15H,6-10H2,1H3
InChIKeyWZGDLFIVMZPRCH-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.54
Rot. Bonds

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

4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] (PubChem CID 947571) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane].

Molecular Properties

Compound Name4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
PubChem CID947571
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]
SMILESCC1CCC2(CC1)Nc1ccccc1CO2
InChIInChI=1S/C14H19NO/c1-11-6-8-14(9-7-11)15-13-5-3-2-4-12(13)10-16-14/h2-5,11,15H,6-10H2,1H3
InChIKeyWZGDLFIVMZPRCH-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The IUPAC name of 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] (CID 947571) is 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane].
What is the SMILES notation for 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The canonical SMILES for 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] is CC1CCC2(CC1)Nc1ccccc1CO2.
What is the InChIKey of 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
The InChIKey is WZGDLFIVMZPRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-8-14(9-7-11)15-13-5-3-2-4-12(13)10-16-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane]?
4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] has a molecular weight of 217.31 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methylspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclohexane] is sourced from PubChem (CID 947571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).