2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

C19H18N2O3 — CID 955159

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C19H18N2O3/c22-18(20-9-3-4-10-20)13-21-12-15(14-6-1-2-7-16(14)21)19(23)17-8-5-11-24-17/h1-2,5-8,11-12H,3-4,9-10,13H2
InChIKeyOAYMPSDPTLVSKL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 955159) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID955159
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C19H18N2O3/c22-18(20-9-3-4-10-20)13-21-12-15(14-6-1-2-7-16(14)21)19(23)17-8-5-11-24-17/h1-2,5-8,11-12H,3-4,9-10,13H2
InChIKeyOAYMPSDPTLVSKL-UHFFFAOYSA-N
XLogP3.09
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (CID 955159) is 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is OAYMPSDPTLVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(20-9-3-4-10-20)13-21-12-15(14-6-1-2-7-16(14)21)19(23)17-8-5-11-24-17/h1-2,5-8,11-12H,3-4,9-10,13H2.
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 322.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 955159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).