N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C7H9FN2O — CID 130914024

IUPACN-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CC1F
InChIInChI=1S/C7H9FN2O/c1-7(4-5(7)8)6(11)10-3-2-9/h5H,3-4H2,1H3,(H,10,11)
InChIKeyPOJBCSFPKKUVHB-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.37
Rot. Bonds2

About N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130914024) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130914024
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC NameN-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC#N)CC1F
InChIInChI=1S/C7H9FN2O/c1-7(4-5(7)8)6(11)10-3-2-9/h5H,3-4H2,1H3,(H,10,11)
InChIKeyPOJBCSFPKKUVHB-UHFFFAOYSA-N
XLogP0.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130914024) is N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC#N)CC1F.
What is the InChIKey of N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is POJBCSFPKKUVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-7(4-5(7)8)6(11)10-3-2-9/h5H,3-4H2,1H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 156.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130914024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).