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

C12H15NO — CID 945130

IUPACspiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]
SMILESc1ccc2c(c1)COC1(CCCC1)N2
InChIInChI=1S/C12H15NO/c1-2-6-11-10(5-1)9-14-12(13-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2
InChIKeyKIBJWHXJMUSDNW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.90
Rot. Bonds

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

spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane] (PubChem CID 945130) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane].

Molecular Properties

Compound Namespiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]
PubChem CID945130
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namespiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]
SMILESc1ccc2c(c1)COC1(CCCC1)N2
InChIInChI=1S/C12H15NO/c1-2-6-11-10(5-1)9-14-12(13-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2
InChIKeyKIBJWHXJMUSDNW-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane] 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 spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]?
The IUPAC name of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane] (CID 945130) is spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane].
What is the SMILES notation for spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]?
The canonical SMILES for spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane] is c1ccc2c(c1)COC1(CCCC1)N2.
What is the InChIKey of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]?
The InChIKey is KIBJWHXJMUSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-11-10(5-1)9-14-12(13-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2.
What are the key properties of spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane]?
spiro[1,4-dihydro-3,1-benzoxazine-2,1'-cyclopentane] has a molecular weight of 189.26 g/mol, XLogP of 2.90, 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'-cyclopentane] is sourced from PubChem (CID 945130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).