N-(2-ethynylphenyl)prop-2-enamide

C11H9NO — CID 130014031

IUPACN-(2-ethynylphenyl)prop-2-enamide
SMILESC#Cc1ccccc1NC(=O)C=C
InChIInChI=1S/C11H9NO/c1-3-9-7-5-6-8-10(9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13)
InChIKeySSKMGHZUEUQMIM-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.79
Rot. Bonds2

About N-(2-ethynylphenyl)prop-2-enamide

N-(2-ethynylphenyl)prop-2-enamide (PubChem CID 130014031) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(2-ethynylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethynylphenyl)prop-2-enamide
PubChem CID130014031
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC NameN-(2-ethynylphenyl)prop-2-enamide
SMILESC#Cc1ccccc1NC(=O)C=C
InChIInChI=1S/C11H9NO/c1-3-9-7-5-6-8-10(9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13)
InChIKeySSKMGHZUEUQMIM-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.79
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

bicyclo[2.2.0]hexa-1,3,5-triene;(2-ethynylphenyl)carbamic acid
CID 18380752
2-bromo-N-(2-ethynylphenyl)acetamide
CID 165452021
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-[2-(2-chloropropan-2-yl)phenyl]prop-2-enamide
CID 141155435
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
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N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
bis[2-(prop-2-enoylamino)phenyl] hydrogen phosphate
CID 68547642
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 43700254
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
1-(2-ethynylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135073242

Frequently Asked Questions

What is the IUPAC name of N-(2-ethynylphenyl)prop-2-enamide?
The IUPAC name of N-(2-ethynylphenyl)prop-2-enamide (CID 130014031) is N-(2-ethynylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethynylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-ethynylphenyl)prop-2-enamide is C#Cc1ccccc1NC(=O)C=C.
What is the InChIKey of N-(2-ethynylphenyl)prop-2-enamide?
The InChIKey is SSKMGHZUEUQMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-3-9-7-5-6-8-10(9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13).
What are the key properties of N-(2-ethynylphenyl)prop-2-enamide?
N-(2-ethynylphenyl)prop-2-enamide has a molecular weight of 171.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethynylphenyl)prop-2-enamide is sourced from PubChem (CID 130014031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).