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

C5H9NO2 — CID 150668015

IUPACN-(hydroxymethyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CO
InChIInChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3,8H,1,4H2,2H3
InChIKeyJFHBFTLJFPFMML-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.07
Rot. Bonds3

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

N-(hydroxymethyl)-N-prop-1-en-2-ylformamide (PubChem CID 150668015) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-prop-1-en-2-ylformamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-prop-1-en-2-ylformamide
PubChem CID150668015
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-(hydroxymethyl)-N-prop-1-en-2-ylformamide
SMILESC=C(C)N(C=O)CO
InChIInChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3,8H,1,4H2,2H3
InChIKeyJFHBFTLJFPFMML-UHFFFAOYSA-N
XLogP-0.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,3Z)-2-ethylidene-5-piperidin-1-ylhexa-3,5-dienyl]-N-prop-1-en-2-ylformamide
CID 155371491
N-carbamoyl-N-(2-oxopropyl)formamide
CID 22614022
ethanol;2-methylprop-2-enal
CID 88639201
methyl 2-[formyl(methoxycarbonyl)amino]acetate
CID 166484365
2-methyl(113C)prop-2-enal
CID 71749931
2-[formyl(2-oxopropyl)amino]acetic acid
CID 121285927
N,N-dimethylformamide;ethanol;methanol;propan-2-one
CID 172828368
acetic acid;N,N-dimethylformamide;ethanol
CID 88751459
N-ethenyl-N-[3-[ethenyl(prop-1-en-2-yl)amino]-2-hydroxypropyl]acetamide
CID 58444869
(Z)-1-[3-(dimethylamino)prop-1-en-2-ylsulfanyl]prop-1-en-2-amine
CID 163689455
benzene-1,2,3-triol;N-ethyl-N-formyl-2-methylprop-2-enamide
CID 158436057
N-[2-(methylamino)ethyl]-N-pent-1-en-2-ylformamide
CID 134406609

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-prop-1-en-2-ylformamide?
The IUPAC name of N-(hydroxymethyl)-N-prop-1-en-2-ylformamide (CID 150668015) is N-(hydroxymethyl)-N-prop-1-en-2-ylformamide.
What is the SMILES notation for N-(hydroxymethyl)-N-prop-1-en-2-ylformamide?
The canonical SMILES for N-(hydroxymethyl)-N-prop-1-en-2-ylformamide is C=C(C)N(C=O)CO.
What is the InChIKey of N-(hydroxymethyl)-N-prop-1-en-2-ylformamide?
The InChIKey is JFHBFTLJFPFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3,8H,1,4H2,2H3.
What are the key properties of N-(hydroxymethyl)-N-prop-1-en-2-ylformamide?
N-(hydroxymethyl)-N-prop-1-en-2-ylformamide has a molecular weight of 115.13 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-prop-1-en-2-ylformamide is sourced from PubChem (CID 150668015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).