Pyrrolidine-3-carboxamide

C5H10N2O — CID 17823279

IUPACpyrrolidine-3-carboxamide
SMILESC1CNCC1C(=O)N
InChIInChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8)
InChIKeyIQHXABCGSFAKPN-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.20
Rot. Bonds1

About Pyrrolidine-3-carboxamide

Pyrrolidine-3-carboxamide (PubChem CID 17823279) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is pyrrolidine-3-carboxamide.

Molecular Properties

Compound NamePyrrolidine-3-carboxamide
PubChem CID17823279
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Namepyrrolidine-3-carboxamide
SMILESC1CNCC1C(=O)N
InChIInChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8)
InChIKeyIQHXABCGSFAKPN-UHFFFAOYSA-N
XLogP-1.20
TPSA55.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity103

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Pyrrolidine-3-carboxamide?
The IUPAC name of Pyrrolidine-3-carboxamide (CID 17823279) is pyrrolidine-3-carboxamide.
What is the SMILES notation for Pyrrolidine-3-carboxamide?
The canonical SMILES for Pyrrolidine-3-carboxamide is C1CNCC1C(=O)N.
What is the InChIKey of Pyrrolidine-3-carboxamide?
The InChIKey is IQHXABCGSFAKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-5(8)4-1-2-7-3-4/h4,7H,1-3H2,(H2,6,8).
What are the key properties of Pyrrolidine-3-carboxamide?
Pyrrolidine-3-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Pyrrolidine-3-carboxamide is sourced from PubChem (CID 17823279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).