ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate

C14H16ClNO2 — CID 11065361

IUPACethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-2-18-14(17)10-13-4-3-9-16(13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/b13-10+
InChIKeyPOPBIUKYOMTCOK-JLHYYAGUSA-N
MW265.74 g/mol
LogP3.39
Rot. Bonds3

About ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate

ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate (PubChem CID 11065361) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate
PubChem CID11065361
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Nameethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-2-18-14(17)10-13-4-3-9-16(13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/b13-10+
InChIKeyPOPBIUKYOMTCOK-JLHYYAGUSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate (CID 11065361) is ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate is CCOC(=O)/C=C1\CCCN1c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate?
The InChIKey is POPBIUKYOMTCOK-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-18-14(17)10-13-4-3-9-16(13)12-7-5-11(15)6-8-12/h5-8,10H,2-4,9H2,1H3/b13-10+.
What are the key properties of ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate?
ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate has a molecular weight of 265.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate is sourced from PubChem (CID 11065361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).