1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one

C9H14N2O2 — CID 82407779

IUPAC1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1oc(C)cc1N
InChIInChI=1S/C9H14N2O2/c1-5-4-7(10)9(13-5)8(12)6(2)11-3/h4,6,11H,10H2,1-3H3
InChIKeyOMPLHQYLXFTISK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.96
Rot. Bonds3

About 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one

1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one (PubChem CID 82407779) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one
PubChem CID82407779
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)c1oc(C)cc1N
InChIInChI=1S/C9H14N2O2/c1-5-4-7(10)9(13-5)8(12)6(2)11-3/h4,6,11H,10H2,1-3H3
InChIKeyOMPLHQYLXFTISK-UHFFFAOYSA-N
XLogP0.96
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one (CID 82407779) is 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)c1oc(C)cc1N.
What is the InChIKey of 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one?
The InChIKey is OMPLHQYLXFTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-4-7(10)9(13-5)8(12)6(2)11-3/h4,6,11H,10H2,1-3H3.
What are the key properties of 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one?
1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 82407779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).