2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine

C18H16N2O — CID 2999841

IUPAC2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
SMILESCC(=Cc1ccco1)C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3
InChIKeyJGBDGHPTJYSDRP-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.70
Rot. Bonds2

About 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine

2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine (PubChem CID 2999841) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
PubChem CID2999841
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
SMILESCC(=Cc1ccco1)C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3
InChIKeyJGBDGHPTJYSDRP-UHFFFAOYSA-N
XLogP4.70
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine (CID 2999841) is 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine is CC(=Cc1ccco1)C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine?
The InChIKey is JGBDGHPTJYSDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3.
What are the key properties of 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine?
2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine has a molecular weight of 276.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 2999841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).