N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide

C9H13FN2O — CID 154627884

IUPACN-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N(CC)[C@H](C)CC#N
InChIInChI=1S/C9H13FN2O/c1-4-12(7(2)5-6-11)9(13)8(3)10/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyMKCRZXAMOVNHHQ-SSDOTTSWSA-N
MW184.21 g/mol
LogP1.62
Rot. Bonds4

About N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide

N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide (PubChem CID 154627884) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide
PubChem CID154627884
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC NameN-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N(CC)[C@H](C)CC#N
InChIInChI=1S/C9H13FN2O/c1-4-12(7(2)5-6-11)9(13)8(3)10/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyMKCRZXAMOVNHHQ-SSDOTTSWSA-N
XLogP1.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide?
The IUPAC name of N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide (CID 154627884) is N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide?
The canonical SMILES for N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide is C=C(F)C(=O)N(CC)[C@H](C)CC#N.
What is the InChIKey of N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide?
The InChIKey is MKCRZXAMOVNHHQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-4-12(7(2)5-6-11)9(13)8(3)10/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide?
N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide has a molecular weight of 184.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyanopropan-2-yl]-N-ethyl-2-fluoroprop-2-enamide is sourced from PubChem (CID 154627884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).