3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one

C8H11NO2 — CID 21037700

IUPAC3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1OC(=O)C(C)=C1N
InChIInChI=1S/C8H11NO2/c1-3-4-6-7(9)5(2)8(10)11-6/h3,6H,1,4,9H2,2H3
InChIKeyGMDOXXCPFWOBKP-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.72
Rot. Bonds2

About 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one

3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one (PubChem CID 21037700) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one.

Molecular Properties

Compound Name3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one
PubChem CID21037700
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one
SMILESC=CCC1OC(=O)C(C)=C1N
InChIInChI=1S/C8H11NO2/c1-3-4-6-7(9)5(2)8(10)11-6/h3,6H,1,4,9H2,2H3
InChIKeyGMDOXXCPFWOBKP-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one?
The IUPAC name of 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one (CID 21037700) is 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one.
What is the SMILES notation for 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one?
The canonical SMILES for 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one is C=CCC1OC(=O)C(C)=C1N.
What is the InChIKey of 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one?
The InChIKey is GMDOXXCPFWOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-6-7(9)5(2)8(10)11-6/h3,6H,1,4,9H2,2H3.
What are the key properties of 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one?
3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-prop-2-enyl-2H-furan-5-one is sourced from PubChem (CID 21037700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).