2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone

C10H15N3O — CID 82401809

IUPAC2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone
SMILESCCn1c(C(=O)CN)cnc1C1CC1
InChIInChI=1S/C10H15N3O/c1-2-13-8(9(14)5-11)6-12-10(13)7-3-4-7/h6-7H,2-5,11H2,1H3
InChIKeyVBGHLFVYWJNRCZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.92
Rot. Bonds4

About 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone

2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone (PubChem CID 82401809) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone
PubChem CID82401809
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone
SMILESCCn1c(C(=O)CN)cnc1C1CC1
InChIInChI=1S/C10H15N3O/c1-2-13-8(9(14)5-11)6-12-10(13)7-3-4-7/h6-7H,2-5,11H2,1H3
InChIKeyVBGHLFVYWJNRCZ-UHFFFAOYSA-N
XLogP0.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone (CID 82401809) is 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone is CCn1c(C(=O)CN)cnc1C1CC1.
What is the InChIKey of 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone?
The InChIKey is VBGHLFVYWJNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-13-8(9(14)5-11)6-12-10(13)7-3-4-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone?
2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-cyclopropyl-3-ethylimidazol-4-yl)ethanone is sourced from PubChem (CID 82401809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).