5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]

C13H19NO — CID 123140503

IUPAC5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=C2C(=CC1)OCC21CCNCC1
InChIInChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3
InChIKeyXQADKDJQZQDICM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds

About 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]

5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] (PubChem CID 123140503) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
PubChem CID123140503
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=C2C(=CC1)OCC21CCNCC1
InChIInChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3
InChIKeyXQADKDJQZQDICM-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] with MolForge

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Related Compounds

Spiro[2,4a,5,6,7,7a-hexahydrofuro[2,3-f]indole-3,4'-piperidine]
CID 67614690
(2E)-2-[(Z)-2-oxa-8-azaspiro[4.5]decan-4-ylidenemethyl]penta-2,4-dien-1-amine
CID 89182451
3,4-Bis(ethenyl)-2-oxa-8-azaspiro[4.5]dec-3-ene
CID 123188135
6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]
CID 143803956
(E,4E)-4-[(4Z)-4-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decan-3-ylidene]-2-methylbut-2-en-1-amine
CID 143809253
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
ethane;methanol;molecular hydrogen;spiro[2H-cyclohepta[b]furan-3,4'-piperidine]
CID 144309389
3-[(6-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104786
(3E)-4-ethylidene-3-propylidene-2-oxa-8-azaspiro[4.5]decane
CID 173651605
(3E)-4-[(Z)-but-2-enylidene]-3-ethylidene-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 174075705
spiro[2H-cyclohepta[b]furan-3,4'-piperidine]
CID 144309390
(3E,4Z)-3-ethylidene-8-methyl-4-prop-2-enylidene-2-oxa-8-azaspiro[4.5]decane
CID 168168328

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] (CID 123140503) is 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] is CC1C=C2C(=CC1)OCC21CCNCC1.
What is the InChIKey of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is XQADKDJQZQDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3.
What are the key properties of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 123140503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).