1-(6-aminohexyl)pyrrolidin-2-one

C10H20N2O — CID 21199130

IUPAC1-(6-aminohexyl)pyrrolidin-2-one
SMILESNCCCCCCN1CCCC1=O
InChIInChI=1S/C10H20N2O/c11-7-3-1-2-4-8-12-9-5-6-10(12)13/h1-9,11H2
InChIKeyARKHFOXARSJRGJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.13
Rot. Bonds6

About 1-(6-aminohexyl)pyrrolidin-2-one

1-(6-aminohexyl)pyrrolidin-2-one (PubChem CID 21199130) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(6-aminohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-aminohexyl)pyrrolidin-2-one
PubChem CID21199130
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(6-aminohexyl)pyrrolidin-2-one
SMILESNCCCCCCN1CCCC1=O
InChIInChI=1S/C10H20N2O/c11-7-3-1-2-4-8-12-9-5-6-10(12)13/h1-9,11H2
InChIKeyARKHFOXARSJRGJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-aminohexyl)pyrrolidin-2-one (CID 21199130) is 1-(6-aminohexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-aminohexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-aminohexyl)pyrrolidin-2-one is NCCCCCCN1CCCC1=O.
What is the InChIKey of 1-(6-aminohexyl)pyrrolidin-2-one?
The InChIKey is ARKHFOXARSJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c11-7-3-1-2-4-8-12-9-5-6-10(12)13/h1-9,11H2.
What are the key properties of 1-(6-aminohexyl)pyrrolidin-2-one?
1-(6-aminohexyl)pyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexyl)pyrrolidin-2-one is sourced from PubChem (CID 21199130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).