5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide

C11H17N3O2 — CID 166164416

IUPAC5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide
SMILESC=C(N)c1oc(C(=O)N(C)CC)cc1NC
InChIInChI=1S/C11H17N3O2/c1-5-14(4)11(15)9-6-8(13-3)10(16-9)7(2)12/h6,13H,2,5,12H2,1,3-4H3
InChIKeyHJMDXKYRHGGMMF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.34
Rot. Bonds4

About 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide

5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide (PubChem CID 166164416) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide
PubChem CID166164416
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide
SMILESC=C(N)c1oc(C(=O)N(C)CC)cc1NC
InChIInChI=1S/C11H17N3O2/c1-5-14(4)11(15)9-6-8(13-3)10(16-9)7(2)12/h6,13H,2,5,12H2,1,3-4H3
InChIKeyHJMDXKYRHGGMMF-UHFFFAOYSA-N
XLogP1.34
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide?
The IUPAC name of 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide (CID 166164416) is 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide.
What is the SMILES notation for 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide?
The canonical SMILES for 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide is C=C(N)c1oc(C(=O)N(C)CC)cc1NC.
What is the InChIKey of 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide?
The InChIKey is HJMDXKYRHGGMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-5-14(4)11(15)9-6-8(13-3)10(16-9)7(2)12/h6,13H,2,5,12H2,1,3-4H3.
What are the key properties of 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide?
5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-N-ethyl-N-methyl-4-(methylamino)furan-2-carboxamide is sourced from PubChem (CID 166164416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).