7-bromospiro[chromene-2,3'-pyrrolidine]

C12H12BrNO — CID 82045958

IUPAC7-bromospiro[chromene-2,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)OC1(C=C2)CCNC1
InChIInChI=1S/C12H12BrNO/c13-10-2-1-9-3-4-12(5-6-14-8-12)15-11(9)7-10/h1-4,7,14H,5-6,8H2
InChIKeyCSQCQXFIXNFDOY-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.59
Rot. Bonds

About 7-bromospiro[chromene-2,3'-pyrrolidine]

7-bromospiro[chromene-2,3'-pyrrolidine] (PubChem CID 82045958) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromospiro[chromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name7-bromospiro[chromene-2,3'-pyrrolidine]
PubChem CID82045958
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name7-bromospiro[chromene-2,3'-pyrrolidine]
SMILESBrc1ccc2c(c1)OC1(C=C2)CCNC1
InChIInChI=1S/C12H12BrNO/c13-10-2-1-9-3-4-12(5-6-14-8-12)15-11(9)7-10/h1-4,7,14H,5-6,8H2
InChIKeyCSQCQXFIXNFDOY-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
spiro[chromene-2,3'-pyrrolidine]-7,8-diol
CID 82045994
spiro[benzo[h]chromene-2,3'-pyrrolidine]
CID 82046003
6-tert-butylspiro[chromene-2,4'-piperidine]
CID 150143821
7-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625303
6-butoxyspiro[chromene-2,4'-piperidine]
CID 82045814
7-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 10850583
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[chromene-2,3'-pyrrolidine]?
The IUPAC name of 7-bromospiro[chromene-2,3'-pyrrolidine] (CID 82045958) is 7-bromospiro[chromene-2,3'-pyrrolidine].
What is the SMILES notation for 7-bromospiro[chromene-2,3'-pyrrolidine]?
The canonical SMILES for 7-bromospiro[chromene-2,3'-pyrrolidine] is Brc1ccc2c(c1)OC1(C=C2)CCNC1.
What is the InChIKey of 7-bromospiro[chromene-2,3'-pyrrolidine]?
The InChIKey is CSQCQXFIXNFDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10-2-1-9-3-4-12(5-6-14-8-12)15-11(9)7-10/h1-4,7,14H,5-6,8H2.
What are the key properties of 7-bromospiro[chromene-2,3'-pyrrolidine]?
7-bromospiro[chromene-2,3'-pyrrolidine] has a molecular weight of 266.14 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[chromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).