(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine

C11H11Cl2N — CID 107311001

IUPAC(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine
SMILESClc1cccc(/C=C2/CCNC2)c1Cl
InChIInChI=1S/C11H11Cl2N/c12-10-3-1-2-9(11(10)13)6-8-4-5-14-7-8/h1-3,6,14H,4-5,7H2/b8-6-
InChIKeyUCPDIGVJSMKOHD-VURMDHGXSA-N
MW228.12 g/mol
LogP3.37
Rot. Bonds1

About (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine

(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine (PubChem CID 107311001) has the molecular formula C11H11Cl2N and a molecular weight of 228.12 g/mol. Its IUPAC name is (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine
PubChem CID107311001
Molecular FormulaC11H11Cl2N
Molecular Weight228.12 g/mol
Exact Mass227.03
IUPAC Name(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine
SMILESClc1cccc(/C=C2/CCNC2)c1Cl
InChIInChI=1S/C11H11Cl2N/c12-10-3-1-2-9(11(10)13)6-8-4-5-14-7-8/h1-3,6,14H,4-5,7H2/b8-6-
InChIKeyUCPDIGVJSMKOHD-VURMDHGXSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine?
The IUPAC name of (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine (CID 107311001) is (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine.
What is the SMILES notation for (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine?
The canonical SMILES for (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine is Clc1cccc(/C=C2/CCNC2)c1Cl.
What is the InChIKey of (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine?
The InChIKey is UCPDIGVJSMKOHD-VURMDHGXSA-N. The full InChI is InChI=1S/C11H11Cl2N/c12-10-3-1-2-9(11(10)13)6-8-4-5-14-7-8/h1-3,6,14H,4-5,7H2/b8-6-.
What are the key properties of (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine?
(3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine has a molecular weight of 228.12 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,3-dichlorophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 107311001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).