1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide

C12H14N2O3 — CID 43212216

IUPAC1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c13-11(16)10-2-1-7-14(10)12(17)8-3-5-9(15)6-4-8/h3-6,10,15H,1-2,7H2,(H2,13,16)
InChIKeyOBDDYUNSRBBTRL-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.48
Rot. Bonds2

About 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide

1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 43212216) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID43212216
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c13-11(16)10-2-1-7-14(10)12(17)8-3-5-9(15)6-4-8/h3-6,10,15H,1-2,7H2,(H2,13,16)
InChIKeyOBDDYUNSRBBTRL-UHFFFAOYSA-N
XLogP0.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 43212216) is 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is OBDDYUNSRBBTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(16)10-2-1-7-14(10)12(17)8-3-5-9(15)6-4-8/h3-6,10,15H,1-2,7H2,(H2,13,16).
What are the key properties of 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide?
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43212216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).