(E)-3-phenylprop-2-enamide;prop-2-enamide

C12H14N2O2 — CID 66955302

IUPAC(E)-3-phenylprop-2-enamide;prop-2-enamide
SMILESC=CC(N)=O.NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H9NO.C3H5NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H,(H2,10,11);2H,1H2,(H2,4,5)/b7-6+;
InChIKeyOPSSROKFCPPPOE-UHDJGPCESA-N
MW218.26 g/mol
LogP0.84
Rot. Bonds3

About (E)-3-phenylprop-2-enamide;prop-2-enamide

(E)-3-phenylprop-2-enamide;prop-2-enamide (PubChem CID 66955302) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-3-phenylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenylprop-2-enamide;prop-2-enamide
PubChem CID66955302
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-3-phenylprop-2-enamide;prop-2-enamide
SMILESC=CC(N)=O.NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H9NO.C3H5NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H,(H2,10,11);2H,1H2,(H2,4,5)/b7-6+;
InChIKeyOPSSROKFCPPPOE-UHDJGPCESA-N
XLogP0.84
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethenylbenzene;prop-2-enamide
CID 160803548
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
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N,N-dideuterio-3-phenylprop-2-enamide
CID 138396103
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(E)-3-phenylprop-2-enamide;1-phenylpropylbenzene
CID 142088142
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-2-[(E)-2-phenylethenyl]but-2-enediamide
CID 141243424
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
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2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenylprop-2-enamide;prop-2-enamide?
The IUPAC name of (E)-3-phenylprop-2-enamide;prop-2-enamide (CID 66955302) is (E)-3-phenylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for (E)-3-phenylprop-2-enamide;prop-2-enamide?
The canonical SMILES for (E)-3-phenylprop-2-enamide;prop-2-enamide is C=CC(N)=O.NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenylprop-2-enamide;prop-2-enamide?
The InChIKey is OPSSROKFCPPPOE-UHDJGPCESA-N. The full InChI is InChI=1S/C9H9NO.C3H5NO/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-3(4)5/h1-7H,(H2,10,11);2H,1H2,(H2,4,5)/b7-6+;.
What are the key properties of (E)-3-phenylprop-2-enamide;prop-2-enamide?
(E)-3-phenylprop-2-enamide;prop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 66955302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).