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

C13H17NO — CID 167058111

IUPAC6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]
SMILESC=C1C=C2OC3(CCNCC3)CC2=CC1
InChIInChI=1S/C13H17NO/c1-10-2-3-11-9-13(15-12(11)8-10)4-6-14-7-5-13/h3,8,14H,1-2,4-7,9H2
InChIKeyULSPMEDQCYVFBB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.30
Rot. Bonds

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

6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine] (PubChem CID 167058111) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]
PubChem CID167058111
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]
SMILESC=C1C=C2OC3(CCNCC3)CC2=CC1
InChIInChI=1S/C13H17NO/c1-10-2-3-11-9-13(15-12(11)8-10)4-6-14-7-5-13/h3,8,14H,1-2,4-7,9H2
InChIKeyULSPMEDQCYVFBB-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine] (CID 167058111) is 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine] is C=C1C=C2OC3(CCNCC3)CC2=CC1.
What is the InChIKey of 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]?
The InChIKey is ULSPMEDQCYVFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-2-3-11-9-13(15-12(11)8-10)4-6-14-7-5-13/h3,8,14H,1-2,4-7,9H2.
What are the key properties of 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine]?
6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine] has a molecular weight of 203.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenespiro[3,5-dihydro-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 167058111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).