ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen

C11H21NO — CID 177017612

IUPACethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen
SMILESCC.CC(C)Cc1cccc(=O)[nH]1.[H][H]
InChIInChI=1S/C9H13NO.C2H6.H2/c1-7(2)6-8-4-3-5-9(11)10-8;1-2;/h3-5,7H,6H2,1-2H3,(H,10,11);1-2H3;1H
InChIKeyGFBRHWSXVXIPPF-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.85
Rot. Bonds2

About ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen

ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen (PubChem CID 177017612) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen
PubChem CID177017612
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Nameethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen
SMILESCC.CC(C)Cc1cccc(=O)[nH]1.[H][H]
InChIInChI=1S/C9H13NO.C2H6.H2/c1-7(2)6-8-4-3-5-9(11)10-8;1-2;/h3-5,7H,6H2,1-2H3,(H,10,11);1-2H3;1H
InChIKeyGFBRHWSXVXIPPF-UHFFFAOYSA-N
XLogP2.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen?
The IUPAC name of ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen (CID 177017612) is ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen.
What is the SMILES notation for ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen?
The canonical SMILES for ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen is CC.CC(C)Cc1cccc(=O)[nH]1.[H][H].
What is the InChIKey of ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen?
The InChIKey is GFBRHWSXVXIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6.H2/c1-7(2)6-8-4-3-5-9(11)10-8;1-2;/h3-5,7H,6H2,1-2H3,(H,10,11);1-2H3;1H.
What are the key properties of ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen?
ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen has a molecular weight of 183.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-methylpropyl)-1H-pyridin-2-one;molecular hydrogen is sourced from PubChem (CID 177017612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).