1-(2-aminoethyl)-3-cyclopropylimidazol-2-one

C8H13N3O — CID 80579399

IUPAC1-(2-aminoethyl)-3-cyclopropylimidazol-2-one
SMILESNCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C8H13N3O/c9-3-4-10-5-6-11(8(10)12)7-1-2-7/h5-7H,1-4,9H2
InChIKeyLGSPXQFHBXOXAS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.06
Rot. Bonds3

About 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one

1-(2-aminoethyl)-3-cyclopropylimidazol-2-one (PubChem CID 80579399) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-cyclopropylimidazol-2-one
PubChem CID80579399
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-aminoethyl)-3-cyclopropylimidazol-2-one
SMILESNCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C8H13N3O/c9-3-4-10-5-6-11(8(10)12)7-1-2-7/h5-7H,1-4,9H2
InChIKeyLGSPXQFHBXOXAS-UHFFFAOYSA-N
XLogP-0.06
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one (CID 80579399) is 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one is NCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one?
The InChIKey is LGSPXQFHBXOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-4-10-5-6-11(8(10)12)7-1-2-7/h5-7H,1-4,9H2.
What are the key properties of 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one?
1-(2-aminoethyl)-3-cyclopropylimidazol-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).