3-(furan-2-ylmethylamino)cyclohex-2-en-1-one

C11H13NO2 — CID 2999754

IUPAC3-(furan-2-ylmethylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(NCc2ccco2)CCC1
InChIInChI=1S/C11H13NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h2,5-7,12H,1,3-4,8H2
InChIKeyRNLWSMSZXYXHFX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.01
Rot. Bonds3

About 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one

3-(furan-2-ylmethylamino)cyclohex-2-en-1-one (PubChem CID 2999754) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)cyclohex-2-en-1-one
PubChem CID2999754
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(furan-2-ylmethylamino)cyclohex-2-en-1-one
SMILESO=C1C=C(NCc2ccco2)CCC1
InChIInChI=1S/C11H13NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h2,5-7,12H,1,3-4,8H2
InChIKeyRNLWSMSZXYXHFX-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 550206
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CID 10937
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CID 666825
Furfurylamphetamine
CID 18116
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
[(Furan-2-yl)methyl]urea
CID 587724
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-Methylfurfurylamine
CID 78492
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
1-Furfurylpyrrolidine
CID 3768984
N-(2-furylmethyl)cyclohexanamine oxalate
CID 9549530

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one?
The IUPAC name of 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one (CID 2999754) is 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one is O=C1C=C(NCc2ccco2)CCC1.
What is the InChIKey of 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one?
The InChIKey is RNLWSMSZXYXHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-4-1-3-9(7-10)12-8-11-5-2-6-14-11/h2,5-7,12H,1,3-4,8H2.
What are the key properties of 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one?
3-(furan-2-ylmethylamino)cyclohex-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 2999754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).