(E)-4-imino-2-methyl-6-phenylhex-2-enamide

C13H16N2O — CID 134354103

IUPAC(E)-4-imino-2-methyl-6-phenylhex-2-enamide
SMILES[H]/N=C(/C=C(\C)C(N)=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(13(15)16)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H2,15,16)/b10-9+,14-12+
InChIKeyKUAGNWPEODILGF-MSEVIDPPSA-N
MW216.28 g/mol
LogP2.07
Rot. Bonds5

About (E)-4-imino-2-methyl-6-phenylhex-2-enamide

(E)-4-imino-2-methyl-6-phenylhex-2-enamide (PubChem CID 134354103) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (E)-4-imino-2-methyl-6-phenylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-imino-2-methyl-6-phenylhex-2-enamide
PubChem CID134354103
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(E)-4-imino-2-methyl-6-phenylhex-2-enamide
SMILES[H]/N=C(/C=C(\C)C(N)=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(13(15)16)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H2,15,16)/b10-9+,14-12+
InChIKeyKUAGNWPEODILGF-MSEVIDPPSA-N
XLogP2.07
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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4-phenylbutan-2-one;prop-1-ene
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ethyl 3-imino-5-phenylpentanoate
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2-methyl-5-(3-phenylpropoxy)pent-2-enamide
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4-bromo-5-methyl-1-phenylhex-4-en-3-one
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CID 95289169

Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-2-methyl-6-phenylhex-2-enamide?
The IUPAC name of (E)-4-imino-2-methyl-6-phenylhex-2-enamide (CID 134354103) is (E)-4-imino-2-methyl-6-phenylhex-2-enamide.
What is the SMILES notation for (E)-4-imino-2-methyl-6-phenylhex-2-enamide?
The canonical SMILES for (E)-4-imino-2-methyl-6-phenylhex-2-enamide is [H]/N=C(/C=C(\C)C(N)=O)CCc1ccccc1.
What is the InChIKey of (E)-4-imino-2-methyl-6-phenylhex-2-enamide?
The InChIKey is KUAGNWPEODILGF-MSEVIDPPSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(13(15)16)9-12(14)8-7-11-5-3-2-4-6-11/h2-6,9,14H,7-8H2,1H3,(H2,15,16)/b10-9+,14-12+.
What are the key properties of (E)-4-imino-2-methyl-6-phenylhex-2-enamide?
(E)-4-imino-2-methyl-6-phenylhex-2-enamide has a molecular weight of 216.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-2-methyl-6-phenylhex-2-enamide is sourced from PubChem (CID 134354103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).