N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide

C13H17FN2O2 — CID 162735187

IUPACN'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide
SMILESC=N/C(=N\C=C(/C)F)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H17FN2O2/c1-10(14)9-16-12(15-2)11-3-5-13(6-4-11)17-7-8-18-13/h3,9H,2,4-8H2,1H3/b10-9+,16-12-
InChIKeySPSAQICYNUEIGO-KDNHCMJDSA-N
MW252.29 g/mol
LogP2.77
Rot. Bonds2

About N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide

N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide (PubChem CID 162735187) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide
PubChem CID162735187
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide
SMILESC=N/C(=N\C=C(/C)F)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H17FN2O2/c1-10(14)9-16-12(15-2)11-3-5-13(6-4-11)17-7-8-18-13/h3,9H,2,4-8H2,1H3/b10-9+,16-12-
InChIKeySPSAQICYNUEIGO-KDNHCMJDSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
8-propa-1,2-dienyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 86086253
1,4-dioxaspiro[4.5]dec-7-ene-8-thiol
CID 141171889
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 90858366
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71344896
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
CID 130331777
ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-oxoacetamide
CID 163629049
N-methylidene-N'-prop-1-en-2-yl-3,6-dihydro-2H-pyran-4-carboximidamide
CID 123511484
tert-butyl N-(1,4-dioxaspiro[4.5]dec-7-ene-8-carbonyl)-N-(2-iodophenyl)carbamate
CID 15355707

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide?
The IUPAC name of N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide (CID 162735187) is N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide.
What is the SMILES notation for N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide?
The canonical SMILES for N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide is C=N/C(=N\C=C(/C)F)C1=CCC2(CC1)OCCO2.
What is the InChIKey of N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide?
The InChIKey is SPSAQICYNUEIGO-KDNHCMJDSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-10(14)9-16-12(15-2)11-3-5-13(6-4-11)17-7-8-18-13/h3,9H,2,4-8H2,1H3/b10-9+,16-12-.
What are the key properties of N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide?
N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide has a molecular weight of 252.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-fluoroprop-1-enyl]-N-methylidene-1,4-dioxaspiro[4.5]dec-7-ene-8-carboximidamide is sourced from PubChem (CID 162735187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).