(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

C14H17NO2 — CID 5333373

IUPAC(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H17NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16)/b9-8+
InChIKeyNGWLFGFCBIPIMT-CMDGGOBGSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds4

About (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide

(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 5333373) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
PubChem CID5333373
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC1CCCO1
InChIInChI=1S/C14H17NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16)/b9-8+
InChIKeyNGWLFGFCBIPIMT-CMDGGOBGSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide (CID 5333373) is (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC1CCCO1.
What is the InChIKey of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is NGWLFGFCBIPIMT-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-11-13-7-4-10-17-13)9-8-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16)/b9-8+.
What are the key properties of (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide?
(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 231.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5333373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).