ethane;2-ethylpyridine;propan-2-one

C12H21NO — CID 91062133

IUPACethane;2-ethylpyridine;propan-2-one
SMILESCC.CC(C)=O.CCc1ccccn1
InChIInChI=1S/C7H9N.C3H6O.C2H6/c1-2-7-5-3-4-6-8-7;1-3(2)4;1-2/h3-6H,2H2,1H3;1-2H3;1-2H3
InChIKeyBLKPUEQDTJZDHU-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.27
Rot. Bonds1

About ethane;2-ethylpyridine;propan-2-one

ethane;2-ethylpyridine;propan-2-one (PubChem CID 91062133) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;2-ethylpyridine;propan-2-one.

Molecular Properties

Compound Nameethane;2-ethylpyridine;propan-2-one
PubChem CID91062133
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;2-ethylpyridine;propan-2-one
SMILESCC.CC(C)=O.CCc1ccccn1
InChIInChI=1S/C7H9N.C3H6O.C2H6/c1-2-7-5-3-4-6-8-7;1-3(2)4;1-2/h3-6H,2H2,1H3;1-2H3;1-2H3
InChIKeyBLKPUEQDTJZDHU-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylpyridine;propan-2-one?
The IUPAC name of ethane;2-ethylpyridine;propan-2-one (CID 91062133) is ethane;2-ethylpyridine;propan-2-one.
What is the SMILES notation for ethane;2-ethylpyridine;propan-2-one?
The canonical SMILES for ethane;2-ethylpyridine;propan-2-one is CC.CC(C)=O.CCc1ccccn1.
What is the InChIKey of ethane;2-ethylpyridine;propan-2-one?
The InChIKey is BLKPUEQDTJZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C3H6O.C2H6/c1-2-7-5-3-4-6-8-7;1-3(2)4;1-2/h3-6H,2H2,1H3;1-2H3;1-2H3.
What are the key properties of ethane;2-ethylpyridine;propan-2-one?
ethane;2-ethylpyridine;propan-2-one has a molecular weight of 195.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpyridine;propan-2-one is sourced from PubChem (CID 91062133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).