1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one

C7H14N2O2 — CID 16795444

IUPAC1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one
SMILESNCC(O)CN1CCCC1=O
InChIInChI=1S/C7H14N2O2/c8-4-6(10)5-9-3-1-2-7(9)11/h6,10H,1-5,8H2
InChIKeyQQYNONWEZCBLKZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.07
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one

1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one (PubChem CID 16795444) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one
PubChem CID16795444
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one
SMILESNCC(O)CN1CCCC1=O
InChIInChI=1S/C7H14N2O2/c8-4-6(10)5-9-3-1-2-7(9)11/h6,10H,1-5,8H2
InChIKeyQQYNONWEZCBLKZ-UHFFFAOYSA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one (CID 16795444) is 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one is NCC(O)CN1CCCC1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is QQYNONWEZCBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-4-6(10)5-9-3-1-2-7(9)11/h6,10H,1-5,8H2.
What are the key properties of 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one?
1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 158.20 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 16795444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).