(E)-N-methyl-5-phenylpent-2-en-4-ynamide

C12H11NO — CID 166437906

IUPAC(E)-N-methyl-5-phenylpent-2-en-4-ynamide
SMILESCNC(=O)/C=C/C#Cc1ccccc1
InChIInChI=1S/C12H11NO/c1-13-12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3,(H,13,14)/b10-6+
InChIKeyCIUCOKYXRYDGRX-UXBLZVDNSA-N
MW185.23 g/mol
LogP1.34
Rot. Bonds1

About (E)-N-methyl-5-phenylpent-2-en-4-ynamide

(E)-N-methyl-5-phenylpent-2-en-4-ynamide (PubChem CID 166437906) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (E)-N-methyl-5-phenylpent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-methyl-5-phenylpent-2-en-4-ynamide
PubChem CID166437906
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(E)-N-methyl-5-phenylpent-2-en-4-ynamide
SMILESCNC(=O)/C=C/C#Cc1ccccc1
InChIInChI=1S/C12H11NO/c1-13-12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3,(H,13,14)/b10-6+
InChIKeyCIUCOKYXRYDGRX-UXBLZVDNSA-N
XLogP1.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (E)-5-phenylpent-2-en-4-ynoate
CID 102425562
6-[[(E)-5-phenylpent-2-en-4-ynoyl]amino]hexanoic acid
CID 23092232
1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one
CID 134824115
(E)-1-(2-bromophenyl)-5-phenylpent-2-en-4-yn-1-one
CID 122385866
(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide
CID 130433117
N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide
CID 11117384
(E)-5-phenylpent-2-en-4-ynenitrile
CID 102085204
(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide
CID 142065146
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303
[(Z)-4-chlorobut-3-en-1-ynyl]benzene
CID 11126589
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-phenylpent-2-en-4-ynamide?
The IUPAC name of (E)-N-methyl-5-phenylpent-2-en-4-ynamide (CID 166437906) is (E)-N-methyl-5-phenylpent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-methyl-5-phenylpent-2-en-4-ynamide?
The canonical SMILES for (E)-N-methyl-5-phenylpent-2-en-4-ynamide is CNC(=O)/C=C/C#Cc1ccccc1.
What is the InChIKey of (E)-N-methyl-5-phenylpent-2-en-4-ynamide?
The InChIKey is CIUCOKYXRYDGRX-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H11NO/c1-13-12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,6-8,10H,1H3,(H,13,14)/b10-6+.
What are the key properties of (E)-N-methyl-5-phenylpent-2-en-4-ynamide?
(E)-N-methyl-5-phenylpent-2-en-4-ynamide has a molecular weight of 185.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-phenylpent-2-en-4-ynamide is sourced from PubChem (CID 166437906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).