spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride

C11H14ClNO — CID 66662035

IUPACspiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
SMILESCl.c1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C11H13NO.ClH/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11;/h1-4,12H,5-8H2;1H
InChIKeyGPPYAKUWMQPENX-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.83
Rot. Bonds

About spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride

spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride (PubChem CID 66662035) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride.

Molecular Properties

Compound Namespiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
PubChem CID66662035
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Namespiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
SMILESCl.c1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C11H13NO.ClH/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11;/h1-4,12H,5-8H2;1H
InChIKeyGPPYAKUWMQPENX-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84677333
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84662082
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
ethene;spiro[1H-2-benzofuran-3,3'-8-azabicyclo[3.2.1]octane]
CID 143099821
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
spiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-carboxylic acid
CID 59320740
N,N-diethylspiro[1H-2-benzofuran-3,4'-cyclohexane]-1'-amine
CID 20562141
(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 44515417
(3S)-spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-sulfonamide
CID 124618391

Frequently Asked Questions

What is the IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride?
The IUPAC name of spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride (CID 66662035) is spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride.
What is the SMILES notation for spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride?
The canonical SMILES for spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride is Cl.c1ccc2c(c1)COC21CCNC1.
What is the InChIKey of spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride?
The InChIKey is GPPYAKUWMQPENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11;/h1-4,12H,5-8H2;1H.
What are the key properties of spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride?
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride is sourced from PubChem (CID 66662035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).