5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one

C14H19NO2 — CID 2901459

IUPAC5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one
SMILESCC(C)CNC1=CC(=O)CC(c2ccco2)C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-12-6-11(7-13(16)8-12)14-4-3-5-17-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyHQHOUAWSPAQTBF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.86
Rot. Bonds4

About 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one

5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one (PubChem CID 2901459) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one
PubChem CID2901459
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one
SMILESCC(C)CNC1=CC(=O)CC(c2ccco2)C1
InChIInChI=1S/C14H19NO2/c1-10(2)9-15-12-6-11(7-13(16)8-12)14-4-3-5-17-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3
InChIKeyHQHOUAWSPAQTBF-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one (CID 2901459) is 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one is CC(C)CNC1=CC(=O)CC(c2ccco2)C1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one?
The InChIKey is HQHOUAWSPAQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)9-15-12-6-11(7-13(16)8-12)14-4-3-5-17-14/h3-5,8,10-11,15H,6-7,9H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one?
5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-methylpropylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 2901459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).