[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone

C12H19N3O — CID 94339941

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CC[C@H](N)C1
InChIInChI=1S/C12H19N3O/c1-2-6-14-7-3-4-11(14)12(16)15-8-5-10(13)9-15/h3-4,7,10H,2,5-6,8-9,13H2,1H3/t10-/m0/s1
InChIKeyMSAZZEJZEZPBHA-JTQLQIEISA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds3

About [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone (PubChem CID 94339941) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
PubChem CID94339941
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CC[C@H](N)C1
InChIInChI=1S/C12H19N3O/c1-2-6-14-7-3-4-11(14)12(16)15-8-5-10(13)9-15/h3-4,7,10H,2,5-6,8-9,13H2,1H3/t10-/m0/s1
InChIKeyMSAZZEJZEZPBHA-JTQLQIEISA-N
XLogP1.07
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
2-[2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrol-1-yl]acetic acid
CID 114799242
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103975815
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 103357517
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
CID 62061622

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone (CID 94339941) is [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CC[C@H](N)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
The InChIKey is MSAZZEJZEZPBHA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-6-14-7-3-4-11(14)12(16)15-8-5-10(13)9-15/h3-4,7,10H,2,5-6,8-9,13H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 94339941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).