6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]

C12H15NO — CID 115099084

IUPAC6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
SMILESCc1cccc2c1NCC1(CC1)CO2
InChIInChI=1S/C12H15NO/c1-9-3-2-4-10-11(9)13-7-12(5-6-12)8-14-10/h2-4,13H,5-8H2,1H3
InChIKeyVYOQQNNWBRWZCB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.58
Rot. Bonds

About 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]

6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] (PubChem CID 115099084) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
PubChem CID115099084
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
SMILESCc1cccc2c1NCC1(CC1)CO2
InChIInChI=1S/C12H15NO/c1-9-3-2-4-10-11(9)13-7-12(5-6-12)8-14-10/h2-4,13H,5-8H2,1H3
InChIKeyVYOQQNNWBRWZCB-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] with MolForge

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Related Compounds

6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
CID 115099036
7-methylspiro[1,2-dihydroindole-3,3'-oxolane]
CID 106701925
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
CID 115098848
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]
CID 115099212
5-methylspiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
CID 115096973
ethane;6-propan-2-ylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]
CID 165000926
5-chloro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine
CID 115095511
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
CID 115099341
8-methoxyspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclohexane]
CID 115099862
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115554290

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The IUPAC name of 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] (CID 115099084) is 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane].
What is the SMILES notation for 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The canonical SMILES for 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] is Cc1cccc2c1NCC1(CC1)CO2.
What is the InChIKey of 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The InChIKey is VYOQQNNWBRWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-3-2-4-10-11(9)13-7-12(5-6-12)8-14-10/h2-4,13H,5-8H2,1H3.
What are the key properties of 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] has a molecular weight of 189.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115099084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).