7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]

C12H14BrNO — CID 82625303

IUPAC7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)OCCC21CCNC1
InChIInChI=1S/C12H14BrNO/c13-9-1-2-10-11(7-9)15-6-4-12(10)3-5-14-8-12/h1-2,7,14H,3-6,8H2
InChIKeyHAPZRUAXIMBOMK-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.46
Rot. Bonds

About 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]

7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] (PubChem CID 82625303) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine].

Molecular Properties

Compound Name7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
PubChem CID82625303
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)OCCC21CCNC1
InChIInChI=1S/C12H14BrNO/c13-9-1-2-10-11(7-9)15-6-4-12(10)3-5-14-8-12/h1-2,7,14H,3-6,8H2
InChIKeyHAPZRUAXIMBOMK-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
spiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 59233929
(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 129384980
7'-bromospiro[1,3-dioxolane-2,4'-2,3-dihydrochromene]
CID 18996063
spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10420425
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
CID 155820090
(5S)-2-oxa-7-azaspiro[4.4]nonan-1-one
CID 86331183
5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
N-(7-bromo-4-methyl-2,3-dihydrochromen-4-yl)-2-methylpropane-2-sulfinamide
CID 178039158
(4S)-7-bromo-4-trimethylsilyloxy-2,3-dihydrochromene-4-carbonitrile
CID 124674921

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The IUPAC name of 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] (CID 82625303) is 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine].
What is the SMILES notation for 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The canonical SMILES for 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] is Brc1ccc2c(c1)OCCC21CCNC1.
What is the InChIKey of 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The InChIKey is HAPZRUAXIMBOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-9-1-2-10-11(7-9)15-6-4-12(10)3-5-14-8-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] has a molecular weight of 268.15 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] is sourced from PubChem (CID 82625303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).