N-carbamoylformamide;hydrate

C2H6N2O3 — CID 174813959

IUPACN-carbamoylformamide;hydrate
SMILESNC(=O)NC=O.O
InChIInChI=1S/C2H4N2O2.H2O/c3-2(6)4-1-5;/h1H,(H3,3,4,5,6);1H2
InChIKeyOFWWRMHTTHWXMN-UHFFFAOYSA-N
MW106.08 g/mol
LogP-2.01
Rot. Bonds1

About N-carbamoylformamide;hydrate

N-carbamoylformamide;hydrate (PubChem CID 174813959) has the molecular formula C2H6N2O3 and a molecular weight of 106.08 g/mol. Its IUPAC name is N-carbamoylformamide;hydrate.

Molecular Properties

Compound NameN-carbamoylformamide;hydrate
PubChem CID174813959
Molecular FormulaC2H6N2O3
Molecular Weight106.08 g/mol
Exact Mass106.04
IUPAC NameN-carbamoylformamide;hydrate
SMILESNC(=O)NC=O.O
InChIInChI=1S/C2H4N2O2.H2O/c3-2(6)4-1-5;/h1H,(H3,3,4,5,6);1H2
InChIKeyOFWWRMHTTHWXMN-UHFFFAOYSA-N
XLogP-2.01
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
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 N-carbamoylformamide;hydrate?
The IUPAC name of N-carbamoylformamide;hydrate (CID 174813959) is N-carbamoylformamide;hydrate.
What is the SMILES notation for N-carbamoylformamide;hydrate?
The canonical SMILES for N-carbamoylformamide;hydrate is NC(=O)NC=O.O.
What is the InChIKey of N-carbamoylformamide;hydrate?
The InChIKey is OFWWRMHTTHWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2.H2O/c3-2(6)4-1-5;/h1H,(H3,3,4,5,6);1H2.
What are the key properties of N-carbamoylformamide;hydrate?
N-carbamoylformamide;hydrate has a molecular weight of 106.08 g/mol, XLogP of -2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoylformamide;hydrate is sourced from PubChem (CID 174813959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).