N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide

C12H13NO2 — CID 170584474

IUPACN-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide
SMILESCC#Cc1ccc(C(CO)NC=O)cc1
InChIInChI=1S/C12H13NO2/c1-2-3-10-4-6-11(7-5-10)12(8-14)13-9-15/h4-7,9,12,14H,8H2,1H3,(H,13,15)
InChIKeyQPWZLYIFJALGNG-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.84
Rot. Bonds4

About N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide

N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide (PubChem CID 170584474) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide
PubChem CID170584474
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide
SMILESCC#Cc1ccc(C(CO)NC=O)cc1
InChIInChI=1S/C12H13NO2/c1-2-3-10-4-6-11(7-5-10)12(8-14)13-9-15/h4-7,9,12,14H,8H2,1H3,(H,13,15)
InChIKeyQPWZLYIFJALGNG-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide?
The IUPAC name of N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide (CID 170584474) is N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide.
What is the SMILES notation for N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide?
The canonical SMILES for N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide is CC#Cc1ccc(C(CO)NC=O)cc1.
What is the InChIKey of N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide?
The InChIKey is QPWZLYIFJALGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-10-4-6-11(7-5-10)12(8-14)13-9-15/h4-7,9,12,14H,8H2,1H3,(H,13,15).
What are the key properties of N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide?
N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide has a molecular weight of 203.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(4-prop-1-ynylphenyl)ethyl]formamide is sourced from PubChem (CID 170584474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).