4-(aminomethyl)pyrrolidin-3-one;dihydrochloride

C5H12Cl2N2O — CID 162308065

IUPAC4-(aminomethyl)pyrrolidin-3-one;dihydrochloride
SMILESCl.Cl.NCC1CNCC1=O
InChIInChI=1S/C5H10N2O.2ClH/c6-1-4-2-7-3-5(4)8;;/h4,7H,1-3,6H2;2*1H
InChIKeyQYFYPEPZWOSJIC-UHFFFAOYSA-N
MW187.07 g/mol
LogP-0.42
Rot. Bonds1

About 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride

4-(aminomethyl)pyrrolidin-3-one;dihydrochloride (PubChem CID 162308065) has the molecular formula C5H12Cl2N2O and a molecular weight of 187.07 g/mol. Its IUPAC name is 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)pyrrolidin-3-one;dihydrochloride
PubChem CID162308065
Molecular FormulaC5H12Cl2N2O
Molecular Weight187.07 g/mol
Exact Mass186.03
IUPAC Name4-(aminomethyl)pyrrolidin-3-one;dihydrochloride
SMILESCl.Cl.NCC1CNCC1=O
InChIInChI=1S/C5H10N2O.2ClH/c6-1-4-2-7-3-5(4)8;;/h4,7H,1-3,6H2;2*1H
InChIKeyQYFYPEPZWOSJIC-UHFFFAOYSA-N
XLogP-0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-oxopyrrolidin-3-yl)acetate
CID 67937001
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
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CID 105427865
2-[[(3S)-4-oxopyrrolidin-3-yl]methyl]benzamide
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4-(3-chloropropyl)pyrrolidin-3-one;ethyl formate
CID 175195273
[(4Z)-4-ethoxyiminopyrrolidin-3-yl]methanamine
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(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
methanesulfonic acid;pentakis((4-methoxyiminopyrrolidin-3-yl)methanamine)
CID 173166840
3-(hydroxymethyl)piperidin-4-one
CID 154392175
2-(aminomethyl)cycloheptan-1-one
CID 84731152
2,5-bis(aminomethyl)cyclohexan-1-one
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6-(2-aminoethyl)-1,4-diazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride?
The IUPAC name of 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride (CID 162308065) is 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride is Cl.Cl.NCC1CNCC1=O.
What is the InChIKey of 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride?
The InChIKey is QYFYPEPZWOSJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.2ClH/c6-1-4-2-7-3-5(4)8;;/h4,7H,1-3,6H2;2*1H.
What are the key properties of 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride?
4-(aminomethyl)pyrrolidin-3-one;dihydrochloride has a molecular weight of 187.07 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyrrolidin-3-one;dihydrochloride is sourced from PubChem (CID 162308065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).