ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one

C11H15NO — CID 143933728

IUPACethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one
SMILESCC.CC1=CCc2cc[nH]c(=O)c21
InChIInChI=1S/C9H9NO.C2H6/c1-6-2-3-7-4-5-10-9(11)8(6)7;1-2/h2,4-5H,3H2,1H3,(H,10,11);1-2H3
InChIKeySMGPDMRHUBXNRI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds

About ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one

ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one (PubChem CID 143933728) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Nameethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one
PubChem CID143933728
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one
SMILESCC.CC1=CCc2cc[nH]c(=O)c21
InChIInChI=1S/C9H9NO.C2H6/c1-6-2-3-7-4-5-10-9(11)8(6)7;1-2/h2,4-5H,3H2,1H3,(H,10,11);1-2H3
InChIKeySMGPDMRHUBXNRI-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3-methyl-1H-indene
CID 123532041
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one
CID 10442877
2,5-dihydrocyclohepta[c]pyridin-1-one
CID 143158045
ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
ethane;3-methyl-1H-indene
CID 90920725
2-methyl-7-oxo-3,6-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 151200997
4-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135144921
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one?
The IUPAC name of ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one (CID 143933728) is ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one.
What is the SMILES notation for ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one?
The canonical SMILES for ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one is CC.CC1=CCc2cc[nH]c(=O)c21.
What is the InChIKey of ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one?
The InChIKey is SMGPDMRHUBXNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C2H6/c1-6-2-3-7-4-5-10-9(11)8(6)7;1-2/h2,4-5H,3H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one?
ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2,5-dihydrocyclopenta[c]pyridin-1-one is sourced from PubChem (CID 143933728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).