N-(1-hydroxyethyl)-N-methylformamide

C4H9NO2 — CID 20551264

IUPACN-(1-hydroxyethyl)-N-methylformamide
SMILESCC(O)N(C)C=O
InChIInChI=1S/C4H9NO2/c1-4(7)5(2)3-6/h3-4,7H,1-2H3
InChIKeyCMIOIULTPORMEM-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.59
Rot. Bonds2

About N-(1-hydroxyethyl)-N-methylformamide

N-(1-hydroxyethyl)-N-methylformamide (PubChem CID 20551264) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-methylformamide
PubChem CID20551264
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-(1-hydroxyethyl)-N-methylformamide
SMILESCC(O)N(C)C=O
InChIInChI=1S/C4H9NO2/c1-4(7)5(2)3-6/h3-4,7H,1-2H3
InChIKeyCMIOIULTPORMEM-UHFFFAOYSA-N
XLogP-0.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.59
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,N-Bis(2-hydroxyethyl)formamide
CID 91333
N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
N-(2-Hydroxyethyl)-N-methylformamide
CID 74120
N-(hydroxymethyl)-N-propylformamide
CID 13163679
Formyl-(2-hydroxyethyl)-dimethylazanium
CID 20084581
N-(3-hydroxypropyl)-N-methylformamide
CID 54516038
ethanol-N,N'-dimethyl formamide
CID 87075040
N-(difluoromethyl)-N-(1-hydroxyethyl)formamide
CID 173056141
N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 173056201
N-ethyl-N-(2-hydroxyethyl)formamide
CID 23277870
N-(2-hydroxyethyl)-N-propylformamide
CID 12591460
N-ethyl-N-(hydroxymethyl)formamide
CID 13163678

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-methylformamide?
The IUPAC name of N-(1-hydroxyethyl)-N-methylformamide (CID 20551264) is N-(1-hydroxyethyl)-N-methylformamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-methylformamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-methylformamide is CC(O)N(C)C=O.
What is the InChIKey of N-(1-hydroxyethyl)-N-methylformamide?
The InChIKey is CMIOIULTPORMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-4(7)5(2)3-6/h3-4,7H,1-2H3.
What are the key properties of N-(1-hydroxyethyl)-N-methylformamide?
N-(1-hydroxyethyl)-N-methylformamide has a molecular weight of 103.12 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-methylformamide is sourced from PubChem (CID 20551264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).