8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C14H18BrNO — CID 82046026

IUPAC8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1cc2c(c(Br)c1C)OC1(CCNC1)CC2
InChIInChI=1S/C14H18BrNO/c1-9-7-11-3-4-14(5-6-16-8-14)17-13(11)12(15)10(9)2/h7,16H,3-6,8H2,1-2H3
InChIKeyZKQOEYHBSPKGLJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.12
Rot. Bonds

About 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82046026) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82046026
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCc1cc2c(c(Br)c1C)OC1(CCNC1)CC2
InChIInChI=1S/C14H18BrNO/c1-9-7-11-3-4-14(5-6-16-8-14)17-13(11)12(15)10(9)2/h7,16H,3-6,8H2,1-2H3
InChIKeyZKQOEYHBSPKGLJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046027
6-bromo-7,8-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82045852
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
CID 121207060
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
8-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047381
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045896
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
CID 129406410
5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137470478

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82046026) is 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is Cc1cc2c(c(Br)c1C)OC1(CCNC1)CC2.
What is the InChIKey of 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is ZKQOEYHBSPKGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-9-7-11-3-4-14(5-6-16-8-14)17-13(11)12(15)10(9)2/h7,16H,3-6,8H2,1-2H3.
What are the key properties of 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 296.21 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82046026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).