N-(1-hydroxyethyl)-N-methylnitrous amide

C3H8N2O2 — CID 59097414

IUPACN-(1-hydroxyethyl)-N-methylnitrous amide
SMILESCC(O)N(C)N=O
InChIInChI=1S/C3H8N2O2/c1-3(6)5(2)4-7/h3,6H,1-2H3
InChIKeyWNTHHIULTGNRKC-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.06
Rot. Bonds2

About N-(1-hydroxyethyl)-N-methylnitrous amide

N-(1-hydroxyethyl)-N-methylnitrous amide (PubChem CID 59097414) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-methylnitrous amide
PubChem CID59097414
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC NameN-(1-hydroxyethyl)-N-methylnitrous amide
SMILESCC(O)N(C)N=O
InChIInChI=1S/C3H8N2O2/c1-3(6)5(2)4-7/h3,6H,1-2H3
InChIKeyWNTHHIULTGNRKC-UHFFFAOYSA-N
XLogP-0.06
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
N-(3-hydroxybutyl)-N-methylnitrous amide
CID 145274513
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980
bis(N,N-dimethylmethanamine);propan-2-ol;dihydrochloride
CID 173170718
[1-hydroxyethyl(methyl)amino]phosphonic acid
CID 87959522
(3S)-3-nitrosobutan-2-ol
CID 163745511
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
butanedioic acid;1-(dimethylamino)ethanol
CID 87203618
(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
1-[bis(1-hydroxyethyl)amino]ethanol;iron
CID 87467389

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-methylnitrous amide?
The IUPAC name of N-(1-hydroxyethyl)-N-methylnitrous amide (CID 59097414) is N-(1-hydroxyethyl)-N-methylnitrous amide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-methylnitrous amide?
The canonical SMILES for N-(1-hydroxyethyl)-N-methylnitrous amide is CC(O)N(C)N=O.
What is the InChIKey of N-(1-hydroxyethyl)-N-methylnitrous amide?
The InChIKey is WNTHHIULTGNRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-3(6)5(2)4-7/h3,6H,1-2H3.
What are the key properties of N-(1-hydroxyethyl)-N-methylnitrous amide?
N-(1-hydroxyethyl)-N-methylnitrous amide has a molecular weight of 104.11 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-methylnitrous amide is sourced from PubChem (CID 59097414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).