2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine

C20H31NO — CID 90759542

IUPAC2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine
SMILESCC.CO.Cc1cc(C)nc(C)c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H11N.C2H6.CH4O/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-7(2)9-8(3)5-6;2*1-2/h1-2,4-5H,3,6-7H2;4-5H,1-3H3;1-2H3;2H,1H3
InChIKeyHIAGTDVITIGINS-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.82
Rot. Bonds

About 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine

2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine (PubChem CID 90759542) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine
PubChem CID90759542
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine
SMILESCC.CO.Cc1cc(C)nc(C)c1.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C8H11N.C2H6.CH4O/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-7(2)9-8(3)5-6;2*1-2/h1-2,4-5H,3,6-7H2;4-5H,1-3H3;1-2H3;2H,1H3
InChIKeyHIAGTDVITIGINS-UHFFFAOYSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine?
The IUPAC name of 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine (CID 90759542) is 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine.
What is the SMILES notation for 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine?
The canonical SMILES for 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine is CC.CO.Cc1cc(C)nc(C)c1.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine?
The InChIKey is HIAGTDVITIGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H11N.C2H6.CH4O/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-7(2)9-8(3)5-6;2*1-2/h1-2,4-5H,3,6-7H2;4-5H,1-3H3;1-2H3;2H,1H3.
What are the key properties of 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine?
2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine has a molecular weight of 301.47 g/mol, XLogP of 4.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;ethane;methanol;2,4,6-trimethylpyridine is sourced from PubChem (CID 90759542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).