ethane;spiro[1,2-dihydroindene-3,3'-azetidine]

C15H25N — CID 155704532

IUPACethane;spiro[1,2-dihydroindene-3,3'-azetidine]
SMILESCC.CC.c1ccc2c(c1)CCC21CNC1
InChIInChI=1S/C11H13N.2C2H6/c1-2-4-10-9(3-1)5-6-11(10)7-12-8-11;2*1-2/h1-4,12H,5-8H2;2*1-2H3
InChIKeyDDQIWBMAVJCAIH-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.53
Rot. Bonds

About ethane;spiro[1,2-dihydroindene-3,3'-azetidine]

ethane;spiro[1,2-dihydroindene-3,3'-azetidine] (PubChem CID 155704532) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;spiro[1,2-dihydroindene-3,3'-azetidine].

Molecular Properties

Compound Nameethane;spiro[1,2-dihydroindene-3,3'-azetidine]
PubChem CID155704532
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;spiro[1,2-dihydroindene-3,3'-azetidine]
SMILESCC.CC.c1ccc2c(c1)CCC21CNC1
InChIInChI=1S/C11H13N.2C2H6/c1-2-4-10-9(3-1)5-6-11(10)7-12-8-11;2*1-2/h1-4,12H,5-8H2;2*1-2H3
InChIKeyDDQIWBMAVJCAIH-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339109
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 86311934
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
CID 84629055
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
ethane;3'-ethylidenespiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 143674823
spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
7-azaspiro[4.5]decane;8-azaspiro[4.5]decane;2-azaspiro[4.4]nonane;6-azaspiro[3.5]nonane;7-azaspiro[3.5]nonane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;2-azaspiro[5.5]undecane;3-azaspiro[5.5]undecane;propane;spiro[1,2-dihydroindene-3,4'-piperidine];bis(spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine])
CID 162091148
1'-tert-butylspiro[1,2-dihydroindene-3,4'-piperidine];1'-tert-butylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 158110279
3-chloro-3-fluoro-1,2-dihydroindene
CID 13405902

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[1,2-dihydroindene-3,3'-azetidine]?
The IUPAC name of ethane;spiro[1,2-dihydroindene-3,3'-azetidine] (CID 155704532) is ethane;spiro[1,2-dihydroindene-3,3'-azetidine].
What is the SMILES notation for ethane;spiro[1,2-dihydroindene-3,3'-azetidine]?
The canonical SMILES for ethane;spiro[1,2-dihydroindene-3,3'-azetidine] is CC.CC.c1ccc2c(c1)CCC21CNC1.
What is the InChIKey of ethane;spiro[1,2-dihydroindene-3,3'-azetidine]?
The InChIKey is DDQIWBMAVJCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.2C2H6/c1-2-4-10-9(3-1)5-6-11(10)7-12-8-11;2*1-2/h1-4,12H,5-8H2;2*1-2H3.
What are the key properties of ethane;spiro[1,2-dihydroindene-3,3'-azetidine]?
ethane;spiro[1,2-dihydroindene-3,3'-azetidine] has a molecular weight of 219.37 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[1,2-dihydroindene-3,3'-azetidine] is sourced from PubChem (CID 155704532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).