N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide

C10H16N2O2 — CID 154627810

IUPACN-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide
SMILES[C-]#[N+]C[C@@H](C)N(CC)C(=O)C(=C)OC
InChIInChI=1S/C10H16N2O2/c1-6-12(8(2)7-11-4)10(13)9(3)14-5/h8H,3,6-7H2,1-2,5H3/t8-/m1/s1
InChIKeyVATIYWUCYAGQTA-MRVPVSSYSA-N
MW196.25 g/mol
LogP1.30
Rot. Bonds5

About N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide

N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide (PubChem CID 154627810) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide
PubChem CID154627810
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide
SMILES[C-]#[N+]C[C@@H](C)N(CC)C(=O)C(=C)OC
InChIInChI=1S/C10H16N2O2/c1-6-12(8(2)7-11-4)10(13)9(3)14-5/h8H,3,6-7H2,1-2,5H3/t8-/m1/s1
InChIKeyVATIYWUCYAGQTA-MRVPVSSYSA-N
XLogP1.30
TPSA33.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide?
The IUPAC name of N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide (CID 154627810) is N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide is [C-]#[N+]C[C@@H](C)N(CC)C(=O)C(=C)OC.
What is the InChIKey of N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide?
The InChIKey is VATIYWUCYAGQTA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-12(8(2)7-11-4)10(13)9(3)14-5/h8H,3,6-7H2,1-2,5H3/t8-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide?
N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-isocyanopropan-2-yl]-2-methoxyprop-2-enamide is sourced from PubChem (CID 154627810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).