6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]

C12H15NO — CID 84662082

IUPAC6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCc1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C12H15NO/c1-9-2-3-11-10(6-9)7-14-12(11)4-5-13-8-12/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyQMRMOGIESINBQT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.71
Rot. Bonds

About 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]

6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 84662082) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID84662082
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCc1ccc2c(c1)COC21CCNC1
InChIInChI=1S/C12H15NO/c1-9-2-3-11-10(6-9)7-14-12(11)4-5-13-8-12/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyQMRMOGIESINBQT-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
5-chlorospiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 84677333
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
6-fluorospiro[1H-2-benzofuran-3,3'-azetidine]
CID 155895187
6-propan-2-ylspiro[1H-2-benzofuran-3,3'-azetidine]
CID 142339893
(Z)-N'-methylethene-1,2-diamine;6-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 168912570
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
2-methylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 118174279
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926
6-bromospiro[1H-2-benzofuran-3,3'-azetidine];2,2,2-trifluoroacetic acid
CID 162342448

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 84662082) is 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine] is Cc1ccc2c(c1)COC21CCNC1.
What is the InChIKey of 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is QMRMOGIESINBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-2-3-11-10(6-9)7-14-12(11)4-5-13-8-12/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 189.26 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 84662082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).