2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

C8H16N2O2 — CID 79547046

IUPAC2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(11)5-7-3-2-4-10(7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12)
InChIKeyXQHCZTVSAOIDEO-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.30
Rot. Bonds2

About 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 79547046) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID79547046
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(O)CC1CCCN1C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(11)5-7-3-2-4-10(7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12)
InChIKeyXQHCZTVSAOIDEO-UHFFFAOYSA-N
XLogP0.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (CID 79547046) is 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is CC(O)CC1CCCN1C(N)=O.
What is the InChIKey of 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is XQHCZTVSAOIDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(11)5-7-3-2-4-10(7)8(9)12/h6-7,11H,2-5H2,1H3,(H2,9,12).
What are the key properties of 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
2-(2-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79547046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).