N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride

C11H19FN2O — CID 59110299

IUPACN-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride
SMILESC=CCN(CC(NC)C(=C)CC)C(=O)F
InChIInChI=1S/C11H19FN2O/c1-5-7-14(11(12)15)8-10(13-4)9(3)6-2/h5,10,13H,1,3,6-8H2,2,4H3
InChIKeyDHYGISNSFCTAIX-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride

N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride (PubChem CID 59110299) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride.

Molecular Properties

Compound NameN-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride
PubChem CID59110299
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC NameN-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride
SMILESC=CCN(CC(NC)C(=C)CC)C(=O)F
InChIInChI=1S/C11H19FN2O/c1-5-7-14(11(12)15)8-10(13-4)9(3)6-2/h5,10,13H,1,3,6-8H2,2,4H3
InChIKeyDHYGISNSFCTAIX-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
CID 59110317

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride?
The IUPAC name of N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride (CID 59110299) is N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride.
What is the SMILES notation for N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride?
The canonical SMILES for N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride is C=CCN(CC(NC)C(=C)CC)C(=O)F.
What is the InChIKey of N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride?
The InChIKey is DHYGISNSFCTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-5-7-14(11(12)15)8-10(13-4)9(3)6-2/h5,10,13H,1,3,6-8H2,2,4H3.
What are the key properties of N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride?
N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride has a molecular weight of 214.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride is sourced from PubChem (CID 59110299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).