N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C10H15FN2O — CID 126816111

IUPACN-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1(C)CC1F
InChIInChI=1S/C10H15FN2O/c1-3-7(4-5-12)13-9(14)10(2)6-8(10)11/h7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyLRPHEBRIZPMETH-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.54
Rot. Bonds4

About N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 126816111) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID126816111
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC NameN-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCCC(CC#N)NC(=O)C1(C)CC1F
InChIInChI=1S/C10H15FN2O/c1-3-7(4-5-12)13-9(14)10(2)6-8(10)11/h7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyLRPHEBRIZPMETH-UHFFFAOYSA-N
XLogP1.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 126816111) is N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CCC(CC#N)NC(=O)C1(C)CC1F.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is LRPHEBRIZPMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-3-7(4-5-12)13-9(14)10(2)6-8(10)11/h7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 198.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 126816111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).