(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one

C10H10ClN2O+ — CID 131237789

IUPAC(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one
SMILESO=C1CC/[N+](=C/c2ccccc2Cl)N1
InChIInChI=1S/C10H9ClN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/p+1/b13-7-
InChIKeyASFHFVPOPIEDAV-QPEQYQDCSA-O
MW209.66 g/mol
LogP1.21
Rot. Bonds1

About (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one

(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one (PubChem CID 131237789) has the molecular formula C10H10ClN2O+ and a molecular weight of 209.66 g/mol. Its IUPAC name is (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one.

Molecular Properties

Compound Name(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one
PubChem CID131237789
Molecular FormulaC10H10ClN2O+
Molecular Weight209.66 g/mol
Exact Mass209.05
IUPAC Name(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one
SMILESO=C1CC/[N+](=C/c2ccccc2Cl)N1
InChIInChI=1S/C10H9ClN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/p+1/b13-7-
InChIKeyASFHFVPOPIEDAV-QPEQYQDCSA-O
XLogP1.21
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[(2-bromophenyl)methylidene]pyrazolidin-1-ium-3-one
CID 54762872
1-[(2-chloro-6-fluorophenyl)methylidene]pyrazolidin-1-ium-3-one
CID 3815155
(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
CID 20834767
(2,5-dioxopyrrolidin-1-yl) 3-(2-chlorophenyl)prop-2-enoate
CID 4777919
(2Z,7Z)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one
CID 98105115
3-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 175300543
(2E)-2-[(2-chlorophenyl)methylidene]cyclohexan-1-one
CID 5374995
N-[(1Z,4S,5R)-1-[(2-chlorophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126066433
2-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 167533120
(2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4-phenylcyclohexan-1-one
CID 24938432
4-chloro-N-[(1Z,4S,5R)-5-(4-chlorophenyl)-1-[(2-chlorophenyl)methylidene]-3-oxopyrazolidin-1-ium-4-yl]benzamide
CID 126065773
CID 102035541
CID 102035541

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one?
The IUPAC name of (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one (CID 131237789) is (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one.
What is the SMILES notation for (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one?
The canonical SMILES for (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one is O=C1CC/[N+](=C/c2ccccc2Cl)N1.
What is the InChIKey of (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one?
The InChIKey is ASFHFVPOPIEDAV-QPEQYQDCSA-O. The full InChI is InChI=1S/C10H9ClN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/p+1/b13-7-.
What are the key properties of (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one?
(1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one has a molecular weight of 209.66 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2-chlorophenyl)methylidene]pyrazolidin-1-ium-3-one is sourced from PubChem (CID 131237789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).