5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]

C11H12ClNO — CID 84677333

IUPAC5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESClc1ccc2c(c1)C1(CCNC1)OC2
InChIInChI=1S/C11H12ClNO/c12-9-2-1-8-6-14-11(10(8)5-9)3-4-13-7-11/h1-2,5,13H,3-4,6-7H2
InChIKeyIJCRUYAFGOHRCX-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.06
Rot. Bonds

About 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]

5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 84677333) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID84677333
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESClc1ccc2c(c1)C1(CCNC1)OC2
InChIInChI=1S/C11H12ClNO/c12-9-2-1-8-6-14-11(10(8)5-9)3-4-13-7-11/h1-2,5,13H,3-4,6-7H2
InChIKeyIJCRUYAFGOHRCX-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
6-chlorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 115062790
6'-chlorospiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703596
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
3-(2,4-dichlorophenyl)-3-methylpyrrolidine
CID 62355170
4,5,6-trifluorospiro[1H-2-benzofuran-3,4'-piperidine]
CID 58685234
3-(2-bromo-4-chlorophenyl)pyrrolidin-3-ol
CID 117103961
2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 118174279
6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
CID 155895187
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 84677333) is 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine] is Clc1ccc2c(c1)C1(CCNC1)OC2.
What is the InChIKey of 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is IJCRUYAFGOHRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-2-1-8-6-14-11(10(8)5-9)3-4-13-7-11/h1-2,5,13H,3-4,6-7H2.
What are the key properties of 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]?
5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 209.68 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 84677333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).