ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate

C15H18ClNO2 — CID 70574061

IUPACethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C(=C1/CCCN1C)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO2/c1-3-19-15(18)14(13-8-5-9-17(13)2)11-6-4-7-12(16)10-11/h4,6-7,10H,3,5,8-9H2,1-2H3/b14-13-
InChIKeyDRJLPBYJRXCVKU-YPKPFQOOSA-N
MW279.77 g/mol
LogP3.34
Rot. Bonds3

About ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate

ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate (PubChem CID 70574061) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate
PubChem CID70574061
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Nameethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C(=C1/CCCN1C)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO2/c1-3-19-15(18)14(13-8-5-9-17(13)2)11-6-4-7-12(16)10-11/h4,6-7,10H,3,5,8-9H2,1-2H3/b14-13-
InChIKeyDRJLPBYJRXCVKU-YPKPFQOOSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate (CID 70574061) is ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate is CCOC(=O)/C(=C1/CCCN1C)c1cccc(Cl)c1.
What is the InChIKey of ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate?
The InChIKey is DRJLPBYJRXCVKU-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-19-15(18)14(13-8-5-9-17(13)2)11-6-4-7-12(16)10-11/h4,6-7,10H,3,5,8-9H2,1-2H3/b14-13-.
What are the key properties of ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate?
ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate has a molecular weight of 279.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)acetate is sourced from PubChem (CID 70574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).