1-(1-aminopentan-2-yl)pyrrolidin-2-one

C9H18N2O — CID 65191937

IUPAC1-(1-aminopentan-2-yl)pyrrolidin-2-one
SMILESCCCC(CN)N1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-2-4-8(7-10)11-6-3-5-9(11)12/h8H,2-7,10H2,1H3
InChIKeyDZARVIIRDHYMAY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds4

About 1-(1-aminopentan-2-yl)pyrrolidin-2-one

1-(1-aminopentan-2-yl)pyrrolidin-2-one (PubChem CID 65191937) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)pyrrolidin-2-one
PubChem CID65191937
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(1-aminopentan-2-yl)pyrrolidin-2-one
SMILESCCCC(CN)N1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-2-4-8(7-10)11-6-3-5-9(11)12/h8H,2-7,10H2,1H3
InChIKeyDZARVIIRDHYMAY-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-aminopentan-2-yl)pyrrolidin-2-one (CID 65191937) is 1-(1-aminopentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-aminopentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-aminopentan-2-yl)pyrrolidin-2-one is CCCC(CN)N1CCCC1=O.
What is the InChIKey of 1-(1-aminopentan-2-yl)pyrrolidin-2-one?
The InChIKey is DZARVIIRDHYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-4-8(7-10)11-6-3-5-9(11)12/h8H,2-7,10H2,1H3.
What are the key properties of 1-(1-aminopentan-2-yl)pyrrolidin-2-one?
1-(1-aminopentan-2-yl)pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 65191937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).