ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]

C16H25NO — CID 143979461

IUPACethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]
SMILESCC.CN1CCC2(CC1)CC1=CCC=CC=C1O2
InChIInChI=1S/C14H19NO.C2H6/c1-15-9-7-14(8-10-15)11-12-5-3-2-4-6-13(12)16-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3
InChIKeyGYABTTBUZNDXRH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds

About ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]

ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine] (PubChem CID 143979461) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine].

Molecular Properties

Compound Nameethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]
PubChem CID143979461
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]
SMILESCC.CN1CCC2(CC1)CC1=CCC=CC=C1O2
InChIInChI=1S/C14H19NO.C2H6/c1-15-9-7-14(8-10-15)11-12-5-3-2-4-6-13(12)16-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3
InChIKeyGYABTTBUZNDXRH-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]?
The IUPAC name of ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine] (CID 143979461) is ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine].
What is the SMILES notation for ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]?
The canonical SMILES for ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine] is CC.CN1CCC2(CC1)CC1=CCC=CC=C1O2.
What is the InChIKey of ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]?
The InChIKey is GYABTTBUZNDXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-15-9-7-14(8-10-15)11-12-5-3-2-4-6-13(12)16-14;1-2/h2,4-6H,3,7-11H2,1H3;1-2H3.
What are the key properties of ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine]?
ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine] has a molecular weight of 247.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-methylspiro[3,5-dihydrocyclohepta[b]furan-2,4'-piperidine] is sourced from PubChem (CID 143979461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).