8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one

C14H17ClN2O — CID 104839626

IUPAC8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
SMILESO=C1Nc2c(Cl)cccc2NC12CCCCCC2
InChIInChI=1S/C14H17ClN2O/c15-10-6-5-7-11-12(10)16-13(18)14(17-11)8-3-1-2-4-9-14/h5-7,17H,1-4,8-9H2,(H,16,18)
InChIKeyGYWRTTGTVMNBPB-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.80
Rot. Bonds

About 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one

8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one (PubChem CID 104839626) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one.

Molecular Properties

Compound Name8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
PubChem CID104839626
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
SMILESO=C1Nc2c(Cl)cccc2NC12CCCCCC2
InChIInChI=1S/C14H17ClN2O/c15-10-6-5-7-11-12(10)16-13(18)14(17-11)8-3-1-2-4-9-14/h5-7,17H,1-4,8-9H2,(H,16,18)
InChIKeyGYWRTTGTVMNBPB-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
6-chloro-2,2,3,3-tetramethyl-1,5-dihydro-1,5-benzodiazepin-4-one
CID 113459411
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
6-chloro-3a-methyl-1,2,3,5,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one
CID 104839676
6-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclohexane]-4-one
CID 115099747
5-chloro-1,1-dioxospiro[4H-1λ6,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097319
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
1'-(2-methyl-2-piperidin-1-ylpropyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70764639
6-chloro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291566
4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
CID 104720282
6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
CID 82375769

Frequently Asked Questions

What is the IUPAC name of 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The IUPAC name of 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one (CID 104839626) is 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one.
What is the SMILES notation for 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The canonical SMILES for 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one is O=C1Nc2c(Cl)cccc2NC12CCCCCC2.
What is the InChIKey of 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The InChIKey is GYWRTTGTVMNBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-10-6-5-7-11-12(10)16-13(18)14(17-11)8-3-1-2-4-9-14/h5-7,17H,1-4,8-9H2,(H,16,18).
What are the key properties of 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one is sourced from PubChem (CID 104839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).