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

C11H13NO2 — CID 104788468

IUPAC3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCc1ccc(CNC2=CC(=O)CC2)o1
InChIInChI=1S/C11H13NO2/c1-8-2-5-11(14-8)7-12-9-3-4-10(13)6-9/h2,5-6,12H,3-4,7H2,1H3
InChIKeyAJUXLVKMUSMFRP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.92
Rot. Bonds3

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

3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one (PubChem CID 104788468) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
PubChem CID104788468
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCc1ccc(CNC2=CC(=O)CC2)o1
InChIInChI=1S/C11H13NO2/c1-8-2-5-11(14-8)7-12-9-3-4-10(13)6-9/h2,5-6,12H,3-4,7H2,1H3
InChIKeyAJUXLVKMUSMFRP-UHFFFAOYSA-N
XLogP1.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-methylfuran-2-yl)ethylamino]cyclopent-2-en-1-one
CID 104788332
2-amino-3-[(5-methylfuran-2-yl)methylamino]cyclobut-2-en-1-one
CID 163756957
3-[(3-methylphenyl)methylamino]cyclopent-2-en-1-one
CID 104788283
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
6-[(5-methylfuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 28651607
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyridin-2-one
CID 43733450
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
5-amino-6-[(5-methylfuran-2-yl)methylamino]-1,3-dihydroindol-2-one
CID 62524524
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one (CID 104788468) is 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one is Cc1ccc(CNC2=CC(=O)CC2)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one?
The InChIKey is AJUXLVKMUSMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-2-5-11(14-8)7-12-9-3-4-10(13)6-9/h2,5-6,12H,3-4,7H2,1H3.
What are the key properties of 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one?
3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).