2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C16H21NO3 — CID 114820809

IUPAC2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCCC2=O)co1
InChIInChI=1S/C16H21NO3/c1-11-9-12(10-20-11)16(19)17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9-10,13-14H,2-8H2,1H3
InChIKeyJKKNBKRTZOSNJD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.95
Rot. Bonds2

About 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 114820809) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID114820809
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCCC2=O)co1
InChIInChI=1S/C16H21NO3/c1-11-9-12(10-20-11)16(19)17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9-10,13-14H,2-8H2,1H3
InChIKeyJKKNBKRTZOSNJD-UHFFFAOYSA-N
XLogP2.95
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 114820809) is 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is Cc1cc(C(=O)N2CCCC2C2CCCCC2=O)co1.
What is the InChIKey of 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is JKKNBKRTZOSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-9-12(10-20-11)16(19)17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9-10,13-14H,2-8H2,1H3.
What are the key properties of 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 275.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 114820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).