6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]

C10H10ClNO — CID 115097033

IUPAC6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCC1(CC1)O2
InChIInChI=1S/C10H10ClNO/c11-7-1-2-9-8(5-7)12-6-10(13-9)3-4-10/h1-2,5,12H,3-4,6H2
InChIKeyYGROUAILMITWMW-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.68
Rot. Bonds

About 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]

6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane] (PubChem CID 115097033) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane].

Molecular Properties

Compound Name6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
PubChem CID115097033
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
SMILESClc1ccc2c(c1)NCC1(CC1)O2
InChIInChI=1S/C10H10ClNO/c11-7-1-2-9-8(5-7)12-6-10(13-9)3-4-10/h1-2,5,12H,3-4,6H2
InChIKeyYGROUAILMITWMW-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]?
The IUPAC name of 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane] (CID 115097033) is 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane].
What is the SMILES notation for 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]?
The canonical SMILES for 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane] is Clc1ccc2c(c1)NCC1(CC1)O2.
What is the InChIKey of 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]?
The InChIKey is YGROUAILMITWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-7-1-2-9-8(5-7)12-6-10(13-9)3-4-10/h1-2,5,12H,3-4,6H2.
What are the key properties of 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]?
6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane] has a molecular weight of 195.65 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane] is sourced from PubChem (CID 115097033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).