N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide

C9H12FN3O — CID 75225070

IUPACN-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide
SMILESN#CC1(NC(=O)C2CC(F)CN2)CC1
InChIInChI=1S/C9H12FN3O/c10-6-3-7(12-4-6)8(14)13-9(5-11)1-2-9/h6-7,12H,1-4H2,(H,13,14)
InChIKeyRMOKMHUGFOXWMB-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.14
Rot. Bonds2

About N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide

N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 75225070) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID75225070
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC NameN-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide
SMILESN#CC1(NC(=O)C2CC(F)CN2)CC1
InChIInChI=1S/C9H12FN3O/c10-6-3-7(12-4-6)8(14)13-9(5-11)1-2-9/h6-7,12H,1-4H2,(H,13,14)
InChIKeyRMOKMHUGFOXWMB-UHFFFAOYSA-N
XLogP-0.14
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide (CID 75225070) is N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide is N#CC1(NC(=O)C2CC(F)CN2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is RMOKMHUGFOXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-6-3-7(12-4-6)8(14)13-9(5-11)1-2-9/h6-7,12H,1-4H2,(H,13,14).
What are the key properties of N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide?
N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 197.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 75225070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).