[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

C9H14N4O — CID 103511639

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H14N4O/c1-12-6-11-4-8(12)9(14)13-3-2-7(10)5-13/h4,6-7H,2-3,5,10H2,1H3/t7-/m1/s1
InChIKeyAULNIJMRBDVIEC-SSDOTTSWSA-N
MW194.24 g/mol
LogP-0.41
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103511639) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103511639
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C9H14N4O/c1-12-6-11-4-8(12)9(14)13-3-2-7(10)5-13/h4,6-7H,2-3,5,10H2,1H3/t7-/m1/s1
InChIKeyAULNIJMRBDVIEC-SSDOTTSWSA-N
XLogP-0.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103511639) is [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is AULNIJMRBDVIEC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-6-11-4-8(12)9(14)13-3-2-7(10)5-13/h4,6-7H,2-3,5,10H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).