(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide

C8H13FN2O — CID 90832404

IUPAC(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide
SMILES[H]/N=C/C/C=C(/C(=O)NC)C(C)F
InChIInChI=1S/C8H13FN2O/c1-6(9)7(4-3-5-10)8(12)11-2/h4-6,10H,3H2,1-2H3,(H,11,12)/b7-4+,10-5+
InChIKeyBUNDFZQBAJFWDB-HOZCHFDZSA-N
MW172.20 g/mol
LogP1.06
Rot. Bonds4

About (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide

(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide (PubChem CID 90832404) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide
PubChem CID90832404
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide
SMILES[H]/N=C/C/C=C(/C(=O)NC)C(C)F
InChIInChI=1S/C8H13FN2O/c1-6(9)7(4-3-5-10)8(12)11-2/h4-6,10H,3H2,1-2H3,(H,11,12)/b7-4+,10-5+
InChIKeyBUNDFZQBAJFWDB-HOZCHFDZSA-N
XLogP1.06
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2,3-dihydropyridine-5-carboxamide
CID 53843387
N-methyl-3H-pyridin-1-ium-4-carboxamide
CID 57064204
2-[1-(ethylideneamino)ethyl]-N-methylbut-2-enamide
CID 91470726
N,3-dimethyl-2,3-dihydropyridine-5-carboxamide
CID 123307049

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide?
The IUPAC name of (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide (CID 90832404) is (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide?
The canonical SMILES for (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide is [H]/N=C/C/C=C(/C(=O)NC)C(C)F.
What is the InChIKey of (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide?
The InChIKey is BUNDFZQBAJFWDB-HOZCHFDZSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-6(9)7(4-3-5-10)8(12)11-2/h4-6,10H,3H2,1-2H3,(H,11,12)/b7-4+,10-5+.
What are the key properties of (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide?
(Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide has a molecular weight of 172.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-fluoroethyl)-5-imino-N-methylpent-2-enamide is sourced from PubChem (CID 90832404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).