(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one

C10H13NO — CID 59039057

IUPAC(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one
SMILESCC1=C[C@@H](C)C2=C(CCC2=O)N1
InChIInChI=1S/C10H13NO/c1-6-5-7(2)11-8-3-4-9(12)10(6)8/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNXBDGMJYOFYLCA-ZCFIWIBFSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds

About (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one

(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one (PubChem CID 59039057) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one.

Molecular Properties

Compound Name(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one
PubChem CID59039057
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one
SMILESCC1=C[C@@H](C)C2=C(CCC2=O)N1
InChIInChI=1S/C10H13NO/c1-6-5-7(2)11-8-3-4-9(12)10(6)8/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyNXBDGMJYOFYLCA-ZCFIWIBFSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one?
The IUPAC name of (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one (CID 59039057) is (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one.
What is the SMILES notation for (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one?
The canonical SMILES for (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one is CC1=C[C@@H](C)C2=C(CCC2=O)N1.
What is the InChIKey of (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one?
The InChIKey is NXBDGMJYOFYLCA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-5-7(2)11-8-3-4-9(12)10(6)8/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one?
(4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one has a molecular weight of 163.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethyl-1,4,6,7-tetrahydrocyclopenta[b]pyridin-5-one is sourced from PubChem (CID 59039057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).