2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone

C9H13N3O — CID 82468293

IUPAC2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CNC1CC1
InChIInChI=1S/C9H13N3O/c1-12-5-4-10-9(12)8(13)6-11-7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyYSWNQYFRNVULIE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.35
Rot. Bonds4

About 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone

2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 82468293) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID82468293
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CNC1CC1
InChIInChI=1S/C9H13N3O/c1-12-5-4-10-9(12)8(13)6-11-7-2-3-7/h4-5,7,11H,2-3,6H2,1H3
InChIKeyYSWNQYFRNVULIE-UHFFFAOYSA-N
XLogP0.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
1-(1-methylimidazol-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589352
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(1-methylimidazol-2-yl)ethanone
CID 116588233
N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
CID 122546761
3-(dimethylamino)-1-(1-methylimidazol-2-yl)propan-1-one
CID 115345823
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336
2-(3-ethoxycyclobutyl)-1-(1-methylimidazol-2-yl)ethanone
CID 103167849

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone (CID 82468293) is 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is YSWNQYFRNVULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-5-4-10-9(12)8(13)6-11-7-2-3-7/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone?
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 82468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).