1-(furan-3-yl)prop-2-en-1-amine

C7H9NO — CID 55294401

IUPAC1-(furan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccoc1
InChIInChI=1S/C7H9NO/c1-2-7(8)6-3-4-9-5-6/h2-5,7H,1,8H2
InChIKeyVKPUMGSOMOKUFZ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.47
Rot. Bonds2

About 1-(furan-3-yl)prop-2-en-1-amine

1-(furan-3-yl)prop-2-en-1-amine (PubChem CID 55294401) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-(furan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)prop-2-en-1-amine
PubChem CID55294401
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-(furan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1ccoc1
InChIInChI=1S/C7H9NO/c1-2-7(8)6-3-4-9-5-6/h2-5,7H,1,8H2
InChIKeyVKPUMGSOMOKUFZ-UHFFFAOYSA-N
XLogP1.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Furan-3-yl)methanamine
CID 2776197
1-(Furan-3-yl)ethanamine
CID 11804704
2-(Furan-3-yl)ethan-1-amine
CID 15721844
1-(2-Methylfuran-3-yl)methanamine
CID 18525866
2-(Furan-3-yl)prop-2-en-1-amine
CID 13583280
1-(Furan-3-yl)methanamine hydrochloride
CID 2795087
1-(2,5-Dimethylfuran-3-yl)ethan-1-amine
CID 16768211
(5-Methylfuran-3-yl)methanamine
CID 55288815
1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 71756511
(R)-1-(Furan-3-yl)ethan-1-amine hydrochloride
CID 137832506
(1S)-1-(furan-3-yl)ethan-1-amine hydrochloride
CID 137832513
Methyl 2-amino-2-(furan-3-yl)acetate hydrochloride
CID 165479149

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(furan-3-yl)prop-2-en-1-amine (CID 55294401) is 1-(furan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(furan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(furan-3-yl)prop-2-en-1-amine is C=CC(N)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)prop-2-en-1-amine?
The InChIKey is VKPUMGSOMOKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-7(8)6-3-4-9-5-6/h2-5,7H,1,8H2.
What are the key properties of 1-(furan-3-yl)prop-2-en-1-amine?
1-(furan-3-yl)prop-2-en-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 55294401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).