N,N-diethylformamide;hydrate

C5H13NO2 — CID 138115792

IUPACN,N-diethylformamide;hydrate
SMILESCCN(C=O)CC.O
InChIInChI=1S/C5H11NO.H2O/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H2
InChIKeyMPADIRFRJPDCDS-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.34
Rot. Bonds3

About N,N-diethylformamide;hydrate

N,N-diethylformamide;hydrate (PubChem CID 138115792) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is N,N-diethylformamide;hydrate.

Molecular Properties

Compound NameN,N-diethylformamide;hydrate
PubChem CID138115792
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC NameN,N-diethylformamide;hydrate
SMILESCCN(C=O)CC.O
InChIInChI=1S/C5H11NO.H2O/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H2
InChIKeyMPADIRFRJPDCDS-UHFFFAOYSA-N
XLogP-0.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylformamide;hydrate?
The IUPAC name of N,N-diethylformamide;hydrate (CID 138115792) is N,N-diethylformamide;hydrate.
What is the SMILES notation for N,N-diethylformamide;hydrate?
The canonical SMILES for N,N-diethylformamide;hydrate is CCN(C=O)CC.O.
What is the InChIKey of N,N-diethylformamide;hydrate?
The InChIKey is MPADIRFRJPDCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H2O/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;1H2.
What are the key properties of N,N-diethylformamide;hydrate?
N,N-diethylformamide;hydrate has a molecular weight of 119.16 g/mol, XLogP of -0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylformamide;hydrate is sourced from PubChem (CID 138115792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).