9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]

C11H12ClNO — CID 115099036

IUPAC9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
SMILESClc1cccc2c1OCC1(CC1)CN2
InChIInChI=1S/C11H12ClNO/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7H2
InChIKeyLGIBJNQDIMEDST-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.92
Rot. Bonds

About 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]

9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] (PubChem CID 115099036) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane].

Molecular Properties

Compound Name9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
PubChem CID115099036
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
SMILESClc1cccc2c1OCC1(CC1)CN2
InChIInChI=1S/C11H12ClNO/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7H2
InChIKeyLGIBJNQDIMEDST-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] with MolForge

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Related Compounds

9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]
CID 115099212
9-chloro-3,3-dimethyl-4,5-dihydro-2H-1,5-benzoxazepine
CID 82230621
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]-9-amine
CID 115098848
6-methylspiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]
CID 115099084
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
7-chlorospiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115452175
5-benzyl-15-chloro-2-oxa-5,10-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 123428739
spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclobutane]-7-ol
CID 115099341
5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
CID 105451209
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200

Frequently Asked Questions

What is the IUPAC name of 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The IUPAC name of 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] (CID 115099036) is 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane].
What is the SMILES notation for 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The canonical SMILES for 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] is Clc1cccc2c1OCC1(CC1)CN2.
What is the InChIKey of 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
The InChIKey is LGIBJNQDIMEDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-8-2-1-3-9-10(8)14-7-11(4-5-11)6-13-9/h1-3,13H,4-7H2.
What are the key properties of 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane]?
9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] has a molecular weight of 209.68 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorospiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclopropane] is sourced from PubChem (CID 115099036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).