3-(5-chlorofuran-2-yl)prop-2-en-1-amine

C7H8ClNO — CID 76997129

IUPAC3-(5-chlorofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2
InChIKeyXBZLVZCAVFYKOU-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.90
Rot. Bonds2

About 3-(5-chlorofuran-2-yl)prop-2-en-1-amine

3-(5-chlorofuran-2-yl)prop-2-en-1-amine (PubChem CID 76997129) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)prop-2-en-1-amine
PubChem CID76997129
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name3-(5-chlorofuran-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2
InChIKeyXBZLVZCAVFYKOU-UHFFFAOYSA-N
XLogP1.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-(5-chlorofuran-2-yl)prop-2-en-1-amine (CID 76997129) is 3-(5-chlorofuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)prop-2-en-1-amine is NCC=Cc1ccc(Cl)o1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)prop-2-en-1-amine?
The InChIKey is XBZLVZCAVFYKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c8-7-4-3-6(10-7)2-1-5-9/h1-4H,5,9H2.
What are the key properties of 3-(5-chlorofuran-2-yl)prop-2-en-1-amine?
3-(5-chlorofuran-2-yl)prop-2-en-1-amine has a molecular weight of 157.60 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 76997129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).