2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]

C11H13BrOS — CID 117273978

IUPAC2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]
SMILESBrc1cc2c(s1)CCOC21CCCC1
InChIInChI=1S/C11H13BrOS/c12-10-7-8-9(14-10)3-6-13-11(8)4-1-2-5-11/h7H,1-6H2
InChIKeyVXFIFDCLKYZOMA-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.85
Rot. Bonds

About 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]

2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] (PubChem CID 117273978) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane].

Molecular Properties

Compound Name2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]
PubChem CID117273978
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]
SMILESBrc1cc2c(s1)CCOC21CCCC1
InChIInChI=1S/C11H13BrOS/c12-10-7-8-9(14-10)3-6-13-11(8)4-1-2-5-11/h7H,1-6H2
InChIKeyVXFIFDCLKYZOMA-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] with MolForge

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Related Compounds

(2'S,4R)-2-bromo-2'-tert-butyl-1'-deuterio-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 175952959
(1-hydroxycyclopentyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170509649
(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725572
2-(2-chlorospiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)ethanol;ethane
CID 169140229
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849
(2'S)-2-(2,2-difluoroethyl)-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139228
1'-[(2S)-1-methylpyrrolidine-2-carbonyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164694944
1-(2,5-dibromothiophen-3-yl)cyclopropan-1-ol
CID 107965689
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
(1-aminocyclopropyl)-(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 170512831
1'-[(1-methylpiperidin-3-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164691967
[1'-(cyclopentylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170504531

Frequently Asked Questions

What is the IUPAC name of 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]?
The IUPAC name of 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] (CID 117273978) is 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane].
What is the SMILES notation for 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]?
The canonical SMILES for 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] is Brc1cc2c(s1)CCOC21CCCC1.
What is the InChIKey of 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]?
The InChIKey is VXFIFDCLKYZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c12-10-7-8-9(14-10)3-6-13-11(8)4-1-2-5-11/h7H,1-6H2.
What are the key properties of 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]?
2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] has a molecular weight of 273.19 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane] is sourced from PubChem (CID 117273978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).