1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one

C12H15NO — CID 20696656

IUPAC1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1cc2c(n(C)c1=O)CC=C2
InChIInChI=1S/C12H15NO/c1-8(2)10-7-9-5-4-6-11(9)13(3)12(10)14/h4-5,7-8H,6H2,1-3H3
InChIKeyXIAXDKWJMBKWCK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.08
Rot. Bonds1

About 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one

1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one (PubChem CID 20696656) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one
PubChem CID20696656
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one
SMILESCC(C)c1cc2c(n(C)c1=O)CC=C2
InChIInChI=1S/C12H15NO/c1-8(2)10-7-9-5-4-6-11(9)13(3)12(10)14/h4-5,7-8H,6H2,1-3H3
InChIKeyXIAXDKWJMBKWCK-UHFFFAOYSA-N
XLogP2.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one (CID 20696656) is 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one is CC(C)c1cc2c(n(C)c1=O)CC=C2.
What is the InChIKey of 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one?
The InChIKey is XIAXDKWJMBKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(2)10-7-9-5-4-6-11(9)13(3)12(10)14/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one?
1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-7H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 20696656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).