(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine

C10H14BrNO — CID 106889700

IUPAC(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C=C/c1occc1Br
InChIInChI=1S/C10H14BrNO/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h3-5,8,12H,2,6-7H2,1H3/b4-3+
InChIKeyIFDUPTZYCKBSAZ-ONEGZZNKSA-N
MW244.13 g/mol
LogP3.05
Rot. Bonds5

About (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine

(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 106889700) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine
PubChem CID106889700
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNC/C=C/c1occc1Br
InChIInChI=1S/C10H14BrNO/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h3-5,8,12H,2,6-7H2,1H3/b4-3+
InChIKeyIFDUPTZYCKBSAZ-ONEGZZNKSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine (CID 106889700) is (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine is CCCNC/C=C/c1occc1Br.
What is the InChIKey of (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is IFDUPTZYCKBSAZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-6-12-7-3-4-10-9(11)5-8-13-10/h3-5,8,12H,2,6-7H2,1H3/b4-3+.
What are the key properties of (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine?
(E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 244.13 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromofuran-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 106889700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).