(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone

C13H21N3O2 — CID 103530028

IUPAC(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)cn2C(C)C)C1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-7-10(14)6-12(16)13(17)15-5-4-11(8-15)18-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeySOEYXHGELCVHOA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds3

About (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone

(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103530028) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103530028
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)cn2C(C)C)C1
InChIInChI=1S/C13H21N3O2/c1-9(2)16-7-10(14)6-12(16)13(17)15-5-4-11(8-15)18-3/h6-7,9,11H,4-5,8,14H2,1-3H3
InChIKeySOEYXHGELCVHOA-UHFFFAOYSA-N
XLogP1.51
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-amino-1-propan-2-ylpyrrol-2-yl)methanone
CID 43644139
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835088
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 103707288
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114045
(4-amino-1-propan-2-ylpyrrol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102776897
(4-amino-1-propan-2-ylpyrrol-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62988095
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641438
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
[4-amino-2-(trifluoromethyl)phenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 164558687
(4-amino-1-propan-2-ylpyrrol-2-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43643737

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone (CID 103530028) is (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cc(N)cn2C(C)C)C1.
What is the InChIKey of (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is SOEYXHGELCVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16-7-10(14)6-12(16)13(17)15-5-4-11(8-15)18-3/h6-7,9,11H,4-5,8,14H2,1-3H3.
What are the key properties of (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone?
(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103530028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).