2-methylidene-5-propan-2-yloxy-1,3-dihydroindole

C12H15NO — CID 89252566

IUPAC2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
SMILESC=C1Cc2cc(OC(C)C)ccc2N1
InChIInChI=1S/C12H15NO/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyJPKXCYCOFYDMNK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.96
Rot. Bonds2

About 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole

2-methylidene-5-propan-2-yloxy-1,3-dihydroindole (PubChem CID 89252566) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole.

Molecular Properties

Compound Name2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
PubChem CID89252566
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methylidene-5-propan-2-yloxy-1,3-dihydroindole
SMILESC=C1Cc2cc(OC(C)C)ccc2N1
InChIInChI=1S/C12H15NO/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyJPKXCYCOFYDMNK-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5'-di(propan-2-yloxy)-2,2'-spirobi[1,3-dihydroindene]
CID 20685087
5-propan-2-yloxy-2,3-dihydro-1H-isoindole;hydrochloride
CID 68823048
2-methylidene-7-(1-phenylethoxy)-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073208
6-propan-2-yloxy-1H-indene
CID 175850570
1-(4-fluorophenyl)-3-(2-methylidene-1,3-dihydroindol-5-yl)urea
CID 164953050
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
2-imino-5-propan-2-yloxy-3H-inden-1-one
CID 167483069
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
CID 71367324
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-2-yl) acetate
CID 10754296
ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
CID 144821070

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole?
The IUPAC name of 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole (CID 89252566) is 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole.
What is the SMILES notation for 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole?
The canonical SMILES for 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole is C=C1Cc2cc(OC(C)C)ccc2N1.
What is the InChIKey of 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole?
The InChIKey is JPKXCYCOFYDMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(2)14-11-4-5-12-10(7-11)6-9(3)13-12/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole?
2-methylidene-5-propan-2-yloxy-1,3-dihydroindole has a molecular weight of 189.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-propan-2-yloxy-1,3-dihydroindole is sourced from PubChem (CID 89252566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).