spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]

C12H17NO — CID 66728485

IUPACspiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]
SMILESC1=CC2(CCNCC2)C2=CCOCC12
InChIInChI=1S/C12H17NO/c1-3-12(4-6-13-7-5-12)11-2-8-14-9-10(1)11/h1-3,10,13H,4-9H2
InChIKeySNSXWCLDFRAPQE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.50
Rot. Bonds

About spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]

spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine] (PubChem CID 66728485) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine].

Molecular Properties

Compound Namespiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]
PubChem CID66728485
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namespiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]
SMILESC1=CC2(CCNCC2)C2=CCOCC12
InChIInChI=1S/C12H17NO/c1-3-12(4-6-13-7-5-12)11-2-8-14-9-10(1)11/h1-3,10,13H,4-9H2
InChIKeySNSXWCLDFRAPQE-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]?
The IUPAC name of spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine] (CID 66728485) is spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine].
What is the SMILES notation for spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]?
The canonical SMILES for spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine] is C1=CC2(CCNCC2)C2=CCOCC12.
What is the InChIKey of spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]?
The InChIKey is SNSXWCLDFRAPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(4-6-13-7-5-12)11-2-8-14-9-10(1)11/h1-3,10,13H,4-9H2.
What are the key properties of spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine]?
spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine] has a molecular weight of 191.27 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,7a-dihydro-1H-cyclopenta[c]pyran-5,4'-piperidine] is sourced from PubChem (CID 66728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).