N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide

C15H15NO2 — CID 134946496

IUPACN-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide
SMILESC=CC(C=C)(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-15(4-2,12-17)16-14(18)11-10-13-8-6-5-7-9-13/h3-9,17H,1-2,12H2,(H,16,18)
InChIKeyIAQDDPOIWBRDIZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.26
Rot. Bonds4

About N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide

N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide (PubChem CID 134946496) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide
PubChem CID134946496
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide
SMILESC=CC(C=C)(CO)NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H15NO2/c1-3-15(4-2,12-17)16-14(18)11-10-13-8-6-5-7-9-13/h3-9,17H,1-2,12H2,(H,16,18)
InChIKeyIAQDDPOIWBRDIZ-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cinnamamide, N-(1,1-dimethyl-2-hydroxyethyl)-
CID 6434080
Cinnamamide, N-(2-hydroxy-1-hydroxymethyl-1-methylethyl)-
CID 6434085
Cinnamamide, N-(1,1-bis(hydroxymethyl)-2-hydroxyethyl)-
CID 6434092
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-phenylbut-3-en-2-yl]acetamide
CID 174324890
N-[(E,3R,4S)-4-hydroxy-1-phenylhex-1-en-5-yn-3-yl]acetamide
CID 134846473
(E)-N-[4-(hydroxymethyl)hepta-1,6-dien-4-yl]-3-phenylprop-2-enamide
CID 138967028
N-[4-(hydroxymethyl)hepta-1,6-dien-4-yl]-3-phenylprop-2-ynamide
CID 138967218
N-(2-Hydroxy-1,1-dimethylethyl)-3-phenyl-2-propenamide
CID 35424
(E)-3-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43416603
(E)-3-(3-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43416627
(E)-3-(2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500809
(E)-3-(4-fluorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]prop-2-enamide
CID 55082301

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide (CID 134946496) is N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide is C=CC(C=C)(CO)NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide?
The InChIKey is IAQDDPOIWBRDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-15(4-2,12-17)16-14(18)11-10-13-8-6-5-7-9-13/h3-9,17H,1-2,12H2,(H,16,18).
What are the key properties of N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide?
N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide has a molecular weight of 241.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)penta-1,4-dien-3-yl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 134946496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).