carbonic acid;N-methylformamide

C3H7NO4 — CID 159780835

IUPACcarbonic acid;N-methylformamide
SMILESCNC=O.O=C(O)O
InChIInChI=1S/C2H5NO.CH2O3/c1-3-2-4;2-1(3)4/h2H,1H3,(H,3,4);(H2,2,3,4)
InChIKeyNHILTLCHCJZAHV-UHFFFAOYSA-N
MW121.09 g/mol
LogP-0.42
Rot. Bonds1

About carbonic acid;N-methylformamide

carbonic acid;N-methylformamide (PubChem CID 159780835) has the molecular formula C3H7NO4 and a molecular weight of 121.09 g/mol. Its IUPAC name is carbonic acid;N-methylformamide.

Molecular Properties

Compound Namecarbonic acid;N-methylformamide
PubChem CID159780835
Molecular FormulaC3H7NO4
Molecular Weight121.09 g/mol
Exact Mass121.04
IUPAC Namecarbonic acid;N-methylformamide
SMILESCNC=O.O=C(O)O
InChIInChI=1S/C2H5NO.CH2O3/c1-3-2-4;2-1(3)4/h2H,1H3,(H,3,4);(H2,2,3,4)
InChIKeyNHILTLCHCJZAHV-UHFFFAOYSA-N
XLogP-0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-methylformamide?
The IUPAC name of carbonic acid;N-methylformamide (CID 159780835) is carbonic acid;N-methylformamide.
What is the SMILES notation for carbonic acid;N-methylformamide?
The canonical SMILES for carbonic acid;N-methylformamide is CNC=O.O=C(O)O.
What is the InChIKey of carbonic acid;N-methylformamide?
The InChIKey is NHILTLCHCJZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.CH2O3/c1-3-2-4;2-1(3)4/h2H,1H3,(H,3,4);(H2,2,3,4).
What are the key properties of carbonic acid;N-methylformamide?
carbonic acid;N-methylformamide has a molecular weight of 121.09 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-methylformamide is sourced from PubChem (CID 159780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).