carbamic acid;formaldehyde;propane-1,1,1-triol

C7H19N3O10 — CID 173133385

IUPACcarbamic acid;formaldehyde;propane-1,1,1-triol
SMILESC=O.CCC(O)(O)O.NC(=O)O.NC(=O)O.NC(=O)O
InChIInChI=1S/C3H8O3.3CH3NO2.CH2O/c1-2-3(4,5)6;3*2-1(3)4;1-2/h4-6H,2H2,1H3;3*2H2,(H,3,4);1H2
InChIKeyBEWZOIGPPNGJAZ-UHFFFAOYSA-N
MW305.24 g/mol
LogP-2.29
Rot. Bonds1

About carbamic acid;formaldehyde;propane-1,1,1-triol

carbamic acid;formaldehyde;propane-1,1,1-triol (PubChem CID 173133385) has the molecular formula C7H19N3O10 and a molecular weight of 305.24 g/mol. Its IUPAC name is carbamic acid;formaldehyde;propane-1,1,1-triol.

Molecular Properties

Compound Namecarbamic acid;formaldehyde;propane-1,1,1-triol
PubChem CID173133385
Molecular FormulaC7H19N3O10
Molecular Weight305.24 g/mol
Exact Mass305.11
IUPAC Namecarbamic acid;formaldehyde;propane-1,1,1-triol
SMILESC=O.CCC(O)(O)O.NC(=O)O.NC(=O)O.NC(=O)O
InChIInChI=1S/C3H8O3.3CH3NO2.CH2O/c1-2-3(4,5)6;3*2-1(3)4;1-2/h4-6H,2H2,1H3;3*2H2,(H,3,4);1H2
InChIKeyBEWZOIGPPNGJAZ-UHFFFAOYSA-N
XLogP-2.29
TPSA267.72 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.24
LogP ≤ 5-2.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;formaldehyde;propane-1,1,1-triol?
The IUPAC name of carbamic acid;formaldehyde;propane-1,1,1-triol (CID 173133385) is carbamic acid;formaldehyde;propane-1,1,1-triol.
What is the SMILES notation for carbamic acid;formaldehyde;propane-1,1,1-triol?
The canonical SMILES for carbamic acid;formaldehyde;propane-1,1,1-triol is C=O.CCC(O)(O)O.NC(=O)O.NC(=O)O.NC(=O)O.
What is the InChIKey of carbamic acid;formaldehyde;propane-1,1,1-triol?
The InChIKey is BEWZOIGPPNGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.3CH3NO2.CH2O/c1-2-3(4,5)6;3*2-1(3)4;1-2/h4-6H,2H2,1H3;3*2H2,(H,3,4);1H2.
What are the key properties of carbamic acid;formaldehyde;propane-1,1,1-triol?
carbamic acid;formaldehyde;propane-1,1,1-triol has a molecular weight of 305.24 g/mol, XLogP of -2.29, 1 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;formaldehyde;propane-1,1,1-triol is sourced from PubChem (CID 173133385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).