ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]

C16H25NO — CID 143386599

IUPACethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]
SMILESCC.CN1CC2(COCC2(C)C)c2ccccc21
InChIInChI=1S/C14H19NO.C2H6/c1-13(2)9-16-10-14(13)8-15(3)12-7-5-4-6-11(12)14;1-2/h4-7H,8-10H2,1-3H3;1-2H3
InChIKeyNGWXHIOPRRUYKC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds

About ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]

ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane] (PubChem CID 143386599) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane].

Molecular Properties

Compound Nameethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]
PubChem CID143386599
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]
SMILESCC.CN1CC2(COCC2(C)C)c2ccccc21
InChIInChI=1S/C14H19NO.C2H6/c1-13(2)9-16-10-14(13)8-15(3)12-7-5-4-6-11(12)14;1-2/h4-7H,8-10H2,1-3H3;1-2H3
InChIKeyNGWXHIOPRRUYKC-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
1,4,4-trimethyl-3-methylidene-2H-quinoline
CID 142604520
1-methylspiro[2H-indole-3,2'-morpholine]
CID 112545926
3-(2-aminoethyl)-1-methyl-2H-indol-3-ol
CID 82402600
ethane;3-(2-propan-2-ylphenyl)oxetane-3-carbonitrile
CID 177167703
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
3,3-difluoro-1-[(2-methyloxiran-2-yl)methyl]-2H-indole
CID 141088156
9,9,10-trimethylacridine
CID 610451
2,2,4-trimethyl-1,3-dihydroquinoxaline;hydrochloride
CID 134691155
(2S,6S)-2,4,6-trimethyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene;hydrochloride
CID 146157122

Frequently Asked Questions

What is the IUPAC name of ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]?
The IUPAC name of ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane] (CID 143386599) is ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane].
What is the SMILES notation for ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]?
The canonical SMILES for ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane] is CC.CN1CC2(COCC2(C)C)c2ccccc21.
What is the InChIKey of ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]?
The InChIKey is NGWXHIOPRRUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-13(2)9-16-10-14(13)8-15(3)12-7-5-4-6-11(12)14;1-2/h4-7H,8-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane]?
ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane] has a molecular weight of 247.38 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4',4'-trimethylspiro[2H-indole-3,3'-oxolane] is sourced from PubChem (CID 143386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).