1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride

C8H17ClN2O — CID 56604167

IUPAC1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O.ClH/c9-5-1-2-6-10-7-3-4-8(10)11;/h1-7,9H2;1H
InChIKeyVMQPVRUGGGSAJN-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.77
Rot. Bonds4

About 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride

1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride (PubChem CID 56604167) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
PubChem CID56604167
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
SMILESCl.NCCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O.ClH/c9-5-1-2-6-10-7-3-4-8(10)11;/h1-7,9H2;1H
InChIKeyVMQPVRUGGGSAJN-UHFFFAOYSA-N
XLogP0.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
1-(3-aminopropyl)pyrrolidin-2-one;2-(4-methylpiperazin-1-yl)ethanamine
CID 145123754
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[2-[2-aminoethyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 70355592
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
CID 544111

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride (CID 56604167) is 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride is Cl.NCCCCN1CCCC1=O.
What is the InChIKey of 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is VMQPVRUGGGSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c9-5-1-2-6-10-7-3-4-8(10)11;/h1-7,9H2;1H.
What are the key properties of 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride?
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 56604167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).