[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone

C16H16ClNO2 — CID 2742821

IUPAC[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C16H16ClNO2/c1-11-14(16(19)18-8-2-3-9-18)10-15(20-11)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyRJQIHJQPDIWAPC-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.14
Rot. Bonds2

About [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone

[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2742821) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID2742821
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C16H16ClNO2/c1-11-14(16(19)18-8-2-3-9-18)10-15(20-11)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyRJQIHJQPDIWAPC-UHFFFAOYSA-N
XLogP4.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone (CID 2742821) is [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC1.
What is the InChIKey of [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RJQIHJQPDIWAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-14(16(19)18-8-2-3-9-18)10-15(20-11)12-4-6-13(17)7-5-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone?
[5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 289.76 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methylfuran-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2742821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).