3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one

C12H15NO2 — CID 104788332

IUPAC3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1ccc(C(C)NC2=CC(=O)CC2)o1
InChIInChI=1S/C12H15NO2/c1-8-3-6-12(15-8)9(2)13-10-4-5-11(14)7-10/h3,6-7,9,13H,4-5H2,1-2H3
InChIKeySIMYCDSDQSHJQW-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.49
Rot. Bonds3

About 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one

3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one (PubChem CID 104788332) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one
PubChem CID104788332
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1ccc(C(C)NC2=CC(=O)CC2)o1
InChIInChI=1S/C12H15NO2/c1-8-3-6-12(15-8)9(2)13-10-4-5-11(14)7-10/h3,6-7,9,13H,4-5H2,1-2H3
InChIKeySIMYCDSDQSHJQW-UHFFFAOYSA-N
XLogP2.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,5-dimethylfuran-3-yl)ethylamino]cyclopent-2-en-1-one
CID 104788432
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
CID 104788468
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788692
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43194719
2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
CID 43192242
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
3-[1-(2H-tetrazol-5-yl)ethylamino]cyclopent-2-en-1-one
CID 104788433
1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
3-(3-methylpentan-2-ylamino)cyclopent-2-en-1-one
CID 104788369
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one (CID 104788332) is 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one is Cc1ccc(C(C)NC2=CC(=O)CC2)o1.
What is the InChIKey of 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one?
The InChIKey is SIMYCDSDQSHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-6-12(15-8)9(2)13-10-4-5-11(14)7-10/h3,6-7,9,13H,4-5H2,1-2H3.
What are the key properties of 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one?
3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).