N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide

C14H15NO — CID 11117384

IUPACN-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide
SMILESCC(=O)NC(C)/C=C/C#Cc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(15-13(2)16)8-6-7-11-14-9-4-3-5-10-14/h3-6,8-10,12H,1-2H3,(H,15,16)/b8-6+
InChIKeySKZWKXGYCORQLT-SOFGYWHQSA-N
MW213.28 g/mol
LogP2.12
Rot. Bonds2

About N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide

N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide (PubChem CID 11117384) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide
PubChem CID11117384
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide
SMILESCC(=O)NC(C)/C=C/C#Cc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(15-13(2)16)8-6-7-11-14-9-4-3-5-10-14/h3-6,8-10,12H,1-2H3,(H,15,16)/b8-6+
InChIKeySKZWKXGYCORQLT-SOFGYWHQSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906
2-methylbut-2-ene;2-phenylethynylbenzene
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(3R)-3-methyl-5-phenylpent-4-yn-2-one
CID 158222149
tert-butyl (E)-5-phenylpent-2-en-4-ynoate
CID 102425562
(Z)-11-phenylundec-8-en-10-yn-2-one
CID 25186776
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
[(Z)-4-chlorobut-3-en-1-ynyl]benzene
CID 11126589
4-methyl-2-(3-phenylprop-2-ynoylamino)pentanoic acid
CID 24694027
trimethyl-[(Z)-4-phenylbut-1-en-3-ynyl]silane
CID 101156945
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
methyl (2R)-2-acetamido-3-(2-phenylethynylsulfanyl)propanoate
CID 156769302
[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
CID 66553425

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide?
The IUPAC name of N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide (CID 11117384) is N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide.
What is the SMILES notation for N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide?
The canonical SMILES for N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide is CC(=O)NC(C)/C=C/C#Cc1ccccc1.
What is the InChIKey of N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide?
The InChIKey is SKZWKXGYCORQLT-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H15NO/c1-12(15-13(2)16)8-6-7-11-14-9-4-3-5-10-14/h3-6,8-10,12H,1-2H3,(H,15,16)/b8-6+.
What are the key properties of N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide?
N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide has a molecular weight of 213.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-phenylhex-3-en-5-yn-2-yl]acetamide is sourced from PubChem (CID 11117384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).