N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide

C11H16FN3O2 — CID 91365016

IUPACN-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide
SMILESC=C1CC(C)OC1N(C=O)C=C(F)/C(N)=N/C
InChIInChI=1S/C11H16FN3O2/c1-7-4-8(2)17-11(7)15(6-16)5-9(12)10(13)14-3/h5-6,8,11H,1,4H2,2-3H3,(H2,13,14)
InChIKeyMIFFPHIPLOJTJQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.93
Rot. Bonds4

About N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide

N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide (PubChem CID 91365016) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide.

Molecular Properties

Compound NameN-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide
PubChem CID91365016
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide
SMILESC=C1CC(C)OC1N(C=O)C=C(F)/C(N)=N/C
InChIInChI=1S/C11H16FN3O2/c1-7-4-8(2)17-11(7)15(6-16)5-9(12)10(13)14-3/h5-6,8,11H,1,4H2,2-3H3,(H2,13,14)
InChIKeyMIFFPHIPLOJTJQ-UHFFFAOYSA-N
XLogP0.93
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide?
The IUPAC name of N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide (CID 91365016) is N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide.
What is the SMILES notation for N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide?
The canonical SMILES for N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide is C=C1CC(C)OC1N(C=O)C=C(F)/C(N)=N/C.
What is the InChIKey of N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide?
The InChIKey is MIFFPHIPLOJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-7-4-8(2)17-11(7)15(6-16)5-9(12)10(13)14-3/h5-6,8,11H,1,4H2,2-3H3,(H2,13,14).
What are the key properties of N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide?
N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide has a molecular weight of 241.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-fluoro-3-methyliminoprop-1-enyl)-N-(5-methyl-3-methylideneoxolan-2-yl)formamide is sourced from PubChem (CID 91365016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).