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

C12H14BrNO — CID 82625302

IUPAC6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)C1(CCNC1)CCO2
InChIInChI=1S/C12H14BrNO/c13-9-1-2-11-10(7-9)12(4-6-15-11)3-5-14-8-12/h1-2,7,14H,3-6,8H2
InChIKeyNWZSAXZOCORESO-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.46
Rot. Bonds

About 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]

6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] (PubChem CID 82625302) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine].

Molecular Properties

Compound Name6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
PubChem CID82625302
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)C1(CCNC1)CCO2
InChIInChI=1S/C12H14BrNO/c13-9-1-2-11-10(7-9)12(4-6-15-11)3-5-14-8-12/h1-2,7,14H,3-6,8H2
InChIKeyNWZSAXZOCORESO-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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Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The IUPAC name of 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] (CID 82625302) is 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine].
What is the SMILES notation for 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The canonical SMILES for 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] is Brc1ccc2c(c1)C1(CCNC1)CCO2.
What is the InChIKey of 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The InChIKey is NWZSAXZOCORESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-9-1-2-11-10(7-9)12(4-6-15-11)3-5-14-8-12/h1-2,7,14H,3-6,8H2.
What are the key properties of 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
6-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 6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine] is sourced from PubChem (CID 82625302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).