8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C12H13BrClNO — CID 82046027

IUPAC8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESClc1cc(Br)c2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C12H13BrClNO/c13-10-6-9(14)5-8-1-2-12(16-11(8)10)3-4-15-7-12/h5-6,15H,1-4,7H2
InChIKeyDVOGIMRZXGTPKX-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.16
Rot. Bonds

About 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]

8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82046027) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82046027
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESClc1cc(Br)c2c(c1)CCC1(CCNC1)O2
InChIInChI=1S/C12H13BrClNO/c13-10-6-9(14)5-8-1-2-12(16-11(8)10)3-4-15-7-12/h5-6,15H,1-4,7H2
InChIKeyDVOGIMRZXGTPKX-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046026
8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 171787900
6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82045852
7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045909
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
CID 162469817
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
CID 113403784

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82046027) is 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine] is Clc1cc(Br)c2c(c1)CCC1(CCNC1)O2.
What is the InChIKey of 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is DVOGIMRZXGTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c13-10-6-9(14)5-8-1-2-12(16-11(8)10)3-4-15-7-12/h5-6,15H,1-4,7H2.
What are the key properties of 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 302.60 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82046027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).