methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate

C16H18ClNO3 — CID 112733543

IUPACmethyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H18ClNO3/c1-21-14(19)11-6-9-18(10-11)15(20)16(7-8-16)12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyJNTIMTQSNDOTNE-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.39
Rot. Bonds3

About methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate

methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate (PubChem CID 112733543) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
PubChem CID112733543
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Namemethyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H18ClNO3/c1-21-14(19)11-6-9-18(10-11)15(20)16(7-8-16)12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyJNTIMTQSNDOTNE-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate (CID 112733543) is methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate?
The InChIKey is JNTIMTQSNDOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-21-14(19)11-6-9-18(10-11)15(20)16(7-8-16)12-2-4-13(17)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate?
methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).