3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one

C10H20N2O2 — CID 107849724

IUPAC3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
SMILESNC1CCN(CCCCCCO)C1=O
InChIInChI=1S/C10H20N2O2/c11-9-5-7-12(10(9)14)6-3-1-2-4-8-13/h9,13H,1-8,11H2
InChIKeyGKIHYIYSLVMBHE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds6

About 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one

3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one (PubChem CID 107849724) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
PubChem CID107849724
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
SMILESNC1CCN(CCCCCCO)C1=O
InChIInChI=1S/C10H20N2O2/c11-9-5-7-12(10(9)14)6-3-1-2-4-8-13/h9,13H,1-8,11H2
InChIKeyGKIHYIYSLVMBHE-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 115457120
tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
CID 130236749
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one (CID 107849724) is 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one is NC1CCN(CCCCCCO)C1=O.
What is the InChIKey of 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one?
The InChIKey is GKIHYIYSLVMBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-9-5-7-12(10(9)14)6-3-1-2-4-8-13/h9,13H,1-8,11H2.
What are the key properties of 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one?
3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one is sourced from PubChem (CID 107849724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).