N,N-dimethylformamide;dihydrate

C3H11NO3 — CID 86012004

IUPACN,N-dimethylformamide;dihydrate
SMILESCN(C)C=O.O.O
InChIInChI=1S/C3H7NO.2H2O/c1-4(2)3-5;;/h3H,1-2H3;2*1H2
InChIKeyYXLFCICVCJCCKR-UHFFFAOYSA-N
MW109.12 g/mol
LogP-1.95
Rot. Bonds1

About N,N-dimethylformamide;dihydrate

N,N-dimethylformamide;dihydrate (PubChem CID 86012004) has the molecular formula C3H11NO3 and a molecular weight of 109.12 g/mol. Its IUPAC name is N,N-dimethylformamide;dihydrate.

Molecular Properties

Compound NameN,N-dimethylformamide;dihydrate
PubChem CID86012004
Molecular FormulaC3H11NO3
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC NameN,N-dimethylformamide;dihydrate
SMILESCN(C)C=O.O.O
InChIInChI=1S/C3H7NO.2H2O/c1-4(2)3-5;;/h3H,1-2H3;2*1H2
InChIKeyYXLFCICVCJCCKR-UHFFFAOYSA-N
XLogP-1.95
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 5-1.95
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-dimethylformamide;dihydrate?
The IUPAC name of N,N-dimethylformamide;dihydrate (CID 86012004) is N,N-dimethylformamide;dihydrate.
What is the SMILES notation for N,N-dimethylformamide;dihydrate?
The canonical SMILES for N,N-dimethylformamide;dihydrate is CN(C)C=O.O.O.
What is the InChIKey of N,N-dimethylformamide;dihydrate?
The InChIKey is YXLFCICVCJCCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.2H2O/c1-4(2)3-5;;/h3H,1-2H3;2*1H2.
What are the key properties of N,N-dimethylformamide;dihydrate?
N,N-dimethylformamide;dihydrate has a molecular weight of 109.12 g/mol, XLogP of -1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;dihydrate is sourced from PubChem (CID 86012004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).