N,N-dideuterio-3-phenylprop-2-enamide

C9H9NO — CID 138396103

IUPACN,N-dideuterio-3-phenylprop-2-enamide
SMILES[2H]N([2H])C(=O)C=Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/i/hD2
InChIKeyAPEJMQOBVMLION-ZSJDYOACSA-N
MW149.19 g/mol
LogP1.19
Rot. Bonds2

About N,N-dideuterio-3-phenylprop-2-enamide

N,N-dideuterio-3-phenylprop-2-enamide (PubChem CID 138396103) has the molecular formula C9H9NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N,N-dideuterio-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN,N-dideuterio-3-phenylprop-2-enamide
PubChem CID138396103
Molecular FormulaC9H9NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN,N-dideuterio-3-phenylprop-2-enamide
SMILES[2H]N([2H])C(=O)C=Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/i/hD2
InChIKeyAPEJMQOBVMLION-ZSJDYOACSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenylprop-2-enamide;prop-2-enamide
CID 66955302
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
CID 142088142
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-3-phenylprop-2-enamide?
The IUPAC name of N,N-dideuterio-3-phenylprop-2-enamide (CID 138396103) is N,N-dideuterio-3-phenylprop-2-enamide.
What is the SMILES notation for N,N-dideuterio-3-phenylprop-2-enamide?
The canonical SMILES for N,N-dideuterio-3-phenylprop-2-enamide is [2H]N([2H])C(=O)C=Cc1ccccc1.
What is the InChIKey of N,N-dideuterio-3-phenylprop-2-enamide?
The InChIKey is APEJMQOBVMLION-ZSJDYOACSA-N. The full InChI is InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/i/hD2.
What are the key properties of N,N-dideuterio-3-phenylprop-2-enamide?
N,N-dideuterio-3-phenylprop-2-enamide has a molecular weight of 149.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-3-phenylprop-2-enamide is sourced from PubChem (CID 138396103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).