N-(2-prop-2-ynoxyethyl)formamide

C6H9NO2 — CID 164574606

IUPACN-(2-prop-2-ynoxyethyl)formamide
SMILESC#CCOCCNC=O
InChIInChI=1S/C6H9NO2/c1-2-4-9-5-3-7-6-8/h1,6H,3-5H2,(H,7,8)
InChIKeyRMQHYLUDBIXVAW-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.62
Rot. Bonds5

About N-(2-prop-2-ynoxyethyl)formamide

N-(2-prop-2-ynoxyethyl)formamide (PubChem CID 164574606) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-(2-prop-2-ynoxyethyl)formamide.

Molecular Properties

Compound NameN-(2-prop-2-ynoxyethyl)formamide
PubChem CID164574606
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-(2-prop-2-ynoxyethyl)formamide
SMILESC#CCOCCNC=O
InChIInChI=1S/C6H9NO2/c1-2-4-9-5-3-7-6-8/h1,6H,3-5H2,(H,7,8)
InChIKeyRMQHYLUDBIXVAW-UHFFFAOYSA-N
XLogP-0.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-prop-2-ynoxyethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-prop-2-enoxyethyl)formamide
CID 126975868
N-[2-[2-(2-oxoethylamino)ethoxy]ethyl]formamide
CID 156882800
5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 122688280
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 163400228
N-[2-(hydroxyamino)oxyethyl]formamide
CID 177333102
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
4-formamido-4-[4-(2-prop-2-ynoxyethoxy)butyl]-N,N'-bis[2-(2-prop-2-ynoxyethoxy)ethyl]heptanediamide
CID 170093800
N-[2-(cyclohexylmethoxy)ethyl]formamide
CID 164604134

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-ynoxyethyl)formamide?
The IUPAC name of N-(2-prop-2-ynoxyethyl)formamide (CID 164574606) is N-(2-prop-2-ynoxyethyl)formamide.
What is the SMILES notation for N-(2-prop-2-ynoxyethyl)formamide?
The canonical SMILES for N-(2-prop-2-ynoxyethyl)formamide is C#CCOCCNC=O.
What is the InChIKey of N-(2-prop-2-ynoxyethyl)formamide?
The InChIKey is RMQHYLUDBIXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-4-9-5-3-7-6-8/h1,6H,3-5H2,(H,7,8).
What are the key properties of N-(2-prop-2-ynoxyethyl)formamide?
N-(2-prop-2-ynoxyethyl)formamide has a molecular weight of 127.14 g/mol, XLogP of -0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-ynoxyethyl)formamide is sourced from PubChem (CID 164574606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).