N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide

C9H14N2O2 — CID 145062512

IUPACN-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESO=CN1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7/h6-8H,1-5H2,(H,10,13)
InChIKeySZPLHTCESJTUEI-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.26
Rot. Bonds3

About N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide

N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide (PubChem CID 145062512) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
PubChem CID145062512
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
SMILESO=CN1CCC(NC(=O)C2CC2)C1
InChIInChI=1S/C9H14N2O2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7/h6-8H,1-5H2,(H,10,13)
InChIKeySZPLHTCESJTUEI-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide (CID 145062512) is N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide is O=CN1CCC(NC(=O)C2CC2)C1.
What is the InChIKey of N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
The InChIKey is SZPLHTCESJTUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-11-4-3-8(5-11)10-9(13)7-1-2-7/h6-8H,1-5H2,(H,10,13).
What are the key properties of N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide?
N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 145062512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).