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

C14H12ClNO — CID 6324576

IUPAC4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2
InChIInChI=1S/C14H12ClNO/c15-12-6-2-1-4-9(12)11-8-14(17)16-13-7-3-5-10(11)13/h1-2,4,6,8H,3,5,7H2,(H,16,17)
InChIKeyBELIUNVLICTPMN-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.18
Rot. Bonds1

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

4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 6324576) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID6324576
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2
InChIInChI=1S/C14H12ClNO/c15-12-6-2-1-4-9(12)11-8-14(17)16-13-7-3-5-10(11)13/h1-2,4,6,8H,3,5,7H2,(H,16,17)
InChIKeyBELIUNVLICTPMN-UHFFFAOYSA-N
XLogP3.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 6324576) is 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is O=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2.
What is the InChIKey of 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is BELIUNVLICTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-12-6-2-1-4-9(12)11-8-14(17)16-13-7-3-5-10(11)13/h1-2,4,6,8H,3,5,7H2,(H,16,17).
What are the key properties of 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 245.71 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 6324576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).