carbamic acid;formaldehyde

C7H20N6O13 — CID 173133375

IUPACcarbamic acid;formaldehyde
SMILESC=O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O
InChIInChI=1S/6CH3NO2.CH2O/c6*2-1(3)4;1-2/h6*2H2,(H,3,4);1H2
InChIKeyBHTYOZXRTZNWRB-UHFFFAOYSA-N
MW396.27 g/mol
LogP-2.45
Rot. Bonds

About carbamic acid;formaldehyde

carbamic acid;formaldehyde (PubChem CID 173133375) has the molecular formula C7H20N6O13 and a molecular weight of 396.27 g/mol. Its IUPAC name is carbamic acid;formaldehyde.

Molecular Properties

Compound Namecarbamic acid;formaldehyde
PubChem CID173133375
Molecular FormulaC7H20N6O13
Molecular Weight396.27 g/mol
Exact Mass396.11
IUPAC Namecarbamic acid;formaldehyde
SMILESC=O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O
InChIInChI=1S/6CH3NO2.CH2O/c6*2-1(3)4;1-2/h6*2H2,(H,3,4);1H2
InChIKeyBHTYOZXRTZNWRB-UHFFFAOYSA-N
XLogP-2.45
TPSA396.99 Ų
H-Bond Donors12
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 5-2.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;formaldehyde?
The IUPAC name of carbamic acid;formaldehyde (CID 173133375) is carbamic acid;formaldehyde.
What is the SMILES notation for carbamic acid;formaldehyde?
The canonical SMILES for carbamic acid;formaldehyde is C=O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;formaldehyde?
The InChIKey is BHTYOZXRTZNWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/6CH3NO2.CH2O/c6*2-1(3)4;1-2/h6*2H2,(H,3,4);1H2.
What are the key properties of carbamic acid;formaldehyde?
carbamic acid;formaldehyde has a molecular weight of 396.27 g/mol, XLogP of -2.45, 0 rotatable bonds, 12 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;formaldehyde is sourced from PubChem (CID 173133375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).