(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine

C13H16NO2P — CID 147757141

IUPAC(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine
SMILESC/C=C(\NCC)P(c1ccco1)c1ccco1
InChIInChI=1S/C13H16NO2P/c1-3-11(14-4-2)17(12-7-5-9-15-12)13-8-6-10-16-13/h3,5-10,14H,4H2,1-2H3/b11-3+
InChIKeyHDIPEGZJQQQOJX-QDEBKDIKSA-N
MW249.25 g/mol
LogP2.78
Rot. Bonds5

About (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine

(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine (PubChem CID 147757141) has the molecular formula C13H16NO2P and a molecular weight of 249.25 g/mol. Its IUPAC name is (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine
PubChem CID147757141
Molecular FormulaC13H16NO2P
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine
SMILESC/C=C(\NCC)P(c1ccco1)c1ccco1
InChIInChI=1S/C13H16NO2P/c1-3-11(14-4-2)17(12-7-5-9-15-12)13-8-6-10-16-13/h3,5-10,14H,4H2,1-2H3/b11-3+
InChIKeyHDIPEGZJQQQOJX-QDEBKDIKSA-N
XLogP2.78
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine?
The IUPAC name of (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine (CID 147757141) is (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine.
What is the SMILES notation for (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine?
The canonical SMILES for (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine is C/C=C(\NCC)P(c1ccco1)c1ccco1.
What is the InChIKey of (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine?
The InChIKey is HDIPEGZJQQQOJX-QDEBKDIKSA-N. The full InChI is InChI=1S/C13H16NO2P/c1-3-11(14-4-2)17(12-7-5-9-15-12)13-8-6-10-16-13/h3,5-10,14H,4H2,1-2H3/b11-3+.
What are the key properties of (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine?
(E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine has a molecular weight of 249.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[bis(furan-2-yl)phosphanyl]-N-ethylprop-1-en-1-amine is sourced from PubChem (CID 147757141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).