N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide

C12H13NO2 — CID 131846680

IUPACN-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1CO1
InChIInChI=1S/C12H13NO2/c14-12(13-8-11-9-15-11)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14)
InChIKeyGRDGJWMZFARHQH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.21
Rot. Bonds4

About N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide

N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 131846680) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID131846680
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1CO1
InChIInChI=1S/C12H13NO2/c14-12(13-8-11-9-15-11)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14)
InChIKeyGRDGJWMZFARHQH-UHFFFAOYSA-N
XLogP1.21
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
CID 5337464
(E)-3-(2-chlorophenyl)-N-[[(2R)-oxiran-2-yl]methyl]prop-2-enamide
CID 97180717
(E)-3-(1,3-benzodioxol-5-yl)-N-(oxiran-2-ylmethyl)prop-2-enamide
CID 102548477
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
CID 174690173
(E)-N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 46090240
methyl 4-[(E)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-oxoprop-1-enyl]benzoate
CID 8872413
N,N-bis(oxiran-2-ylmethyl)-3-phenylprop-2-enamide
CID 154477095
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)prop-2-enamide
CID 17416536
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide (CID 131846680) is N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NCC1CO1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is GRDGJWMZFARHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(13-8-11-9-15-11)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,13,14).
What are the key properties of N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide?
N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 131846680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).