8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine

C11H12ClNO — CID 170730200

IUPAC8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc2c1OC(C1CC1)CN2
InChIInChI=1S/C11H12ClNO/c12-8-2-1-3-9-11(8)14-10(6-13-9)7-4-5-7/h1-3,7,10,13H,4-6H2
InChIKeyKVOTXWDBCULPCB-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.92
Rot. Bonds1

About 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine

8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 170730200) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID170730200
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESClc1cccc2c1OC(C1CC1)CN2
InChIInChI=1S/C11H12ClNO/c12-8-2-1-3-9-11(8)14-10(6-13-9)7-4-5-7/h1-3,7,10,13H,4-6H2
InChIKeyKVOTXWDBCULPCB-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Related Compounds

8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
[(2R)-8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanol
CID 170730196
(2S)-8-chloro-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975883
2-(8-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 81433230
8-chloro-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81433582
2-(4-bromo-2-fluorophenyl)-8-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 82971203
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
CID 117199882
6-chloro-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287007
methyl 7-chloro-2,3-dihydro-1,3-benzoxazole-2-carboxylate
CID 71607305
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)-N-methylethanamine
CID 117199967
2-cyclopropyl-3,4-dihydro-2H-furo[3,2-b][1,4]oxazine
CID 82377300

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine (CID 170730200) is 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine is Clc1cccc2c1OC(C1CC1)CN2.
What is the InChIKey of 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KVOTXWDBCULPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-8-2-1-3-9-11(8)14-10(6-13-9)7-4-5-7/h1-3,7,10,13H,4-6H2.
What are the key properties of 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine?
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 209.68 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 170730200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).