N-formyl-N-(3-phenylprop-2-ynyl)formamide

C11H9NO2 — CID 130431755

IUPACN-formyl-N-(3-phenylprop-2-ynyl)formamide
SMILESO=CN(C=O)CC#Cc1ccccc1
InChIInChI=1S/C11H9NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,8H2
InChIKeyBNZWAOIVPSUNNY-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.65
Rot. Bonds3

About N-formyl-N-(3-phenylprop-2-ynyl)formamide

N-formyl-N-(3-phenylprop-2-ynyl)formamide (PubChem CID 130431755) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-formyl-N-(3-phenylprop-2-ynyl)formamide.

Molecular Properties

Compound NameN-formyl-N-(3-phenylprop-2-ynyl)formamide
PubChem CID130431755
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC NameN-formyl-N-(3-phenylprop-2-ynyl)formamide
SMILESO=CN(C=O)CC#Cc1ccccc1
InChIInChI=1S/C11H9NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,8H2
InChIKeyBNZWAOIVPSUNNY-UHFFFAOYSA-N
XLogP0.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(3-phenylprop-2-ynyl)formamide?
The IUPAC name of N-formyl-N-(3-phenylprop-2-ynyl)formamide (CID 130431755) is N-formyl-N-(3-phenylprop-2-ynyl)formamide.
What is the SMILES notation for N-formyl-N-(3-phenylprop-2-ynyl)formamide?
The canonical SMILES for N-formyl-N-(3-phenylprop-2-ynyl)formamide is O=CN(C=O)CC#Cc1ccccc1.
What is the InChIKey of N-formyl-N-(3-phenylprop-2-ynyl)formamide?
The InChIKey is BNZWAOIVPSUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-9-12(10-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,8H2.
What are the key properties of N-formyl-N-(3-phenylprop-2-ynyl)formamide?
N-formyl-N-(3-phenylprop-2-ynyl)formamide has a molecular weight of 187.20 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(3-phenylprop-2-ynyl)formamide is sourced from PubChem (CID 130431755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).