N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide

C6H11NO2 — CID 151328399

IUPACN-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCO
InChIInChI=1S/C6H11NO2/c1-6(2)7(5-9)3-4-8/h5,8H,1,3-4H2,2H3
InChIKeyOHXVWYCZQLBCLA-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.03
Rot. Bonds4

About N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide

N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide (PubChem CID 151328399) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide
PubChem CID151328399
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CCO
InChIInChI=1S/C6H11NO2/c1-6(2)7(5-9)3-4-8/h5,8H,1,3-4H2,2H3
InChIKeyOHXVWYCZQLBCLA-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
2-[Ethyl(prop-1-en-2-yl)amino]ethanol
CID 118426590
2-[Methyl(prop-1-en-2-yl)amino]ethanol
CID 123488296
2-[Methyl(prop-1-en-2-yl)amino]ethanol;hydrate
CID 143127607
N-(hydroxymethyl)-N-prop-1-en-2-ylformamide
CID 150668015
N-(3-hydroxypropyl)-N-prop-1-en-2-ylformamide
CID 150961586
N-(hydroxymethyl)-N-(3-hydroxyprop-1-en-2-yl)formamide
CID 161517350
N-(1-hydroxybutan-2-yl)-N-prop-1-en-2-ylformamide
CID 166960934
N-(2-Hydroxyethyl)-N-[1-(methylsulfanyl)prop-1-en-2-yl]formamide
CID 71320511
N-(2-hydroxyethyl)-N-[(E)-1-methylsulfanylprop-1-en-2-yl]formamide
CID 171377814

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide (CID 151328399) is N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide?
The InChIKey is OHXVWYCZQLBCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)7(5-9)3-4-8/h5,8H,1,3-4H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide?
N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide has a molecular weight of 129.16 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 151328399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).