1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one

C10H15N3O — CID 114533271

IUPAC1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(N)CC1
InChIInChI=1S/C10H15N3O/c1-13-7-6-12-9(13)3-2-8(14)10(11)4-5-10/h6-7H,2-5,11H2,1H3
InChIKeyQBKBWUFSPSDEQR-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.41
Rot. Bonds4

About 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one

1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 114533271) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
PubChem CID114533271
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1CCC(=O)C1(N)CC1
InChIInChI=1S/C10H15N3O/c1-13-7-6-12-9(13)3-2-8(14)10(11)4-5-10/h6-7H,2-5,11H2,1H3
InChIKeyQBKBWUFSPSDEQR-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
4-hydroxy-1-(1-methylimidazol-2-yl)pentan-3-one
CID 103451481
1-(4-aminocyclohexyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533209
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-chloro-1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529640
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one (CID 114533271) is 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1CCC(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is QBKBWUFSPSDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-7-6-12-9(13)3-2-8(14)10(11)4-5-10/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one?
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 114533271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).