(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one

C11H10ClNO2 — CID 155205814

IUPAC(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C(/O)c1cc(Cl)ccn1
InChIInChI=1S/C11H10ClNO2/c12-7-4-5-13-9(6-7)11(15)8-2-1-3-10(8)14/h4-6,15H,1-3H2/b11-8-
InChIKeyPQKBUKMLMNCIMT-FLIBITNWSA-N
MW223.66 g/mol
LogP2.76
Rot. Bonds1

About (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one

(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one (PubChem CID 155205814) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one
PubChem CID155205814
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one
SMILESO=C1CCC/C1=C(/O)c1cc(Cl)ccn1
InChIInChI=1S/C11H10ClNO2/c12-7-4-5-13-9(6-7)11(15)8-2-1-3-10(8)14/h4-6,15H,1-3H2/b11-8-
InChIKeyPQKBUKMLMNCIMT-FLIBITNWSA-N
XLogP2.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one (CID 155205814) is (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one is O=C1CCC/C1=C(/O)c1cc(Cl)ccn1.
What is the InChIKey of (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one?
The InChIKey is PQKBUKMLMNCIMT-FLIBITNWSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-7-4-5-13-9(6-7)11(15)8-2-1-3-10(8)14/h4-6,15H,1-3H2/b11-8-.
What are the key properties of (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one?
(2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one has a molecular weight of 223.66 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chloro-2-pyridinyl)-hydroxymethylidene]cyclopentan-1-one is sourced from PubChem (CID 155205814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).