methyl(3-phenylprop-2-ynyl)cyanamide

C11H10N2 — CID 139230519

IUPACmethyl(3-phenylprop-2-ynyl)cyanamide
SMILESCN(C#N)CC#Cc1ccccc1
InChIInChI=1S/C11H10N2/c1-13(10-12)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3
InChIKeyYHRSXFHGENCZGD-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.45
Rot. Bonds1

About methyl(3-phenylprop-2-ynyl)cyanamide

methyl(3-phenylprop-2-ynyl)cyanamide (PubChem CID 139230519) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl(3-phenylprop-2-ynyl)cyanamide.

Molecular Properties

Compound Namemethyl(3-phenylprop-2-ynyl)cyanamide
PubChem CID139230519
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Namemethyl(3-phenylprop-2-ynyl)cyanamide
SMILESCN(C#N)CC#Cc1ccccc1
InChIInChI=1S/C11H10N2/c1-13(10-12)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3
InChIKeyYHRSXFHGENCZGD-UHFFFAOYSA-N
XLogP1.45
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-2-propynenitrile
CID 96382
N,N-dimethyl-1-phenylhex-5-en-1-yn-3-amine
CID 647249
N,N-Diethyl-3-phenyl-2-propyn-1-amine
CID 123402
3-Phenylpropargylamine
CID 1681
Methyl(3-phenylprop-2-yn-1-yl)(prop-2-en-1-yl)amine
CID 12284266
Dimethyl[3-(4-methylphenyl)prop-2-yn-1-yl](prop-2-yn-1-yl)ammonium bromide
CID 16192919
Diethyl-(3-phenyl-prop-2-ynyl)-prop-2-ynyl-ammonium
CID 16682354
Dimethylbis(3-phenylpropargyl)-ammonium bromide
CID 13182483
Diethyl-bis-(3-phenyl-prop-2-ynyl)-ammonium
CID 16682356
N-ethyl-3-(4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 122181609
Diethyl-(3-p-tolyl-prop-2-ynyl)-amine
CID 16682241
Allyl-dimethyl-(1-phenylethynyl-but-3-enyl)-ammonium
CID 9551749

Frequently Asked Questions

What is the IUPAC name of methyl(3-phenylprop-2-ynyl)cyanamide?
The IUPAC name of methyl(3-phenylprop-2-ynyl)cyanamide (CID 139230519) is methyl(3-phenylprop-2-ynyl)cyanamide.
What is the SMILES notation for methyl(3-phenylprop-2-ynyl)cyanamide?
The canonical SMILES for methyl(3-phenylprop-2-ynyl)cyanamide is CN(C#N)CC#Cc1ccccc1.
What is the InChIKey of methyl(3-phenylprop-2-ynyl)cyanamide?
The InChIKey is YHRSXFHGENCZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-13(10-12)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3.
What are the key properties of methyl(3-phenylprop-2-ynyl)cyanamide?
methyl(3-phenylprop-2-ynyl)cyanamide has a molecular weight of 170.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(3-phenylprop-2-ynyl)cyanamide is sourced from PubChem (CID 139230519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).