2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one

C14H23N3O — CID 54872842

IUPAC2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-3-8-14(2,15)13(18)17-10-5-7-12(17)11-6-4-9-16-11/h4,6,9,12,16H,3,5,7-8,10,15H2,1-2H3
InChIKeyKANNZNYWBKZNPF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one

2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 54872842) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
PubChem CID54872842
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H23N3O/c1-3-8-14(2,15)13(18)17-10-5-7-12(17)11-6-4-9-16-11/h4,6,9,12,16H,3,5,7-8,10,15H2,1-2H3
InChIKeyKANNZNYWBKZNPF-UHFFFAOYSA-N
XLogP2.20
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
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4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
2-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]sulfanylacetic acid
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3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 81047905
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one (CID 54872842) is 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one is CCCC(C)(N)C(=O)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is KANNZNYWBKZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-14(2,15)13(18)17-10-5-7-12(17)11-6-4-9-16-11/h4,6,9,12,16H,3,5,7-8,10,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one?
2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 54872842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).