1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride

C8H17ClN2O — CID 56604272

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6(2)8(11)10-4-3-7(9)5-10;/h6-7H,3-5,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeyILRFAIPIIRTLOX-FJXQXJEOSA-N
MW192.69 g/mol
LogP0.62
Rot. Bonds1

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride

1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 56604272) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID56604272
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCC(C)C(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6(2)8(11)10-4-3-7(9)5-10;/h6-7H,3-5,9H2,1-2H3;1H/t7-;/m0./s1
InChIKeyILRFAIPIIRTLOX-FJXQXJEOSA-N
XLogP0.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 56604272) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride is CC(C)C(=O)N1CC[C@H](N)C1.Cl.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is ILRFAIPIIRTLOX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-6(2)8(11)10-4-3-7(9)5-10;/h6-7H,3-5,9H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 56604272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).