N-(N'-ethylcarbamimidoyl)formamide

C4H9N3O — CID 71416538

IUPACN-(N'-ethylcarbamimidoyl)formamide
SMILESCC/N=C(\N)NC=O
InChIInChI=1S/C4H9N3O/c1-2-6-4(5)7-3-8/h3H,2H2,1H3,(H3,5,6,7,8)
InChIKeyJDQDODKNNYJEMN-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.93
Rot. Bonds2

About N-(N'-ethylcarbamimidoyl)formamide

N-(N'-ethylcarbamimidoyl)formamide (PubChem CID 71416538) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-(N'-ethylcarbamimidoyl)formamide.

Molecular Properties

Compound NameN-(N'-ethylcarbamimidoyl)formamide
PubChem CID71416538
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-(N'-ethylcarbamimidoyl)formamide
SMILESCC/N=C(\N)NC=O
InChIInChI=1S/C4H9N3O/c1-2-6-4(5)7-3-8/h3H,2H2,1H3,(H3,5,6,7,8)
InChIKeyJDQDODKNNYJEMN-UHFFFAOYSA-N
XLogP-0.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-ethylcarbamimidoyl)formamide?
The IUPAC name of N-(N'-ethylcarbamimidoyl)formamide (CID 71416538) is N-(N'-ethylcarbamimidoyl)formamide.
What is the SMILES notation for N-(N'-ethylcarbamimidoyl)formamide?
The canonical SMILES for N-(N'-ethylcarbamimidoyl)formamide is CC/N=C(\N)NC=O.
What is the InChIKey of N-(N'-ethylcarbamimidoyl)formamide?
The InChIKey is JDQDODKNNYJEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-6-4(5)7-3-8/h3H,2H2,1H3,(H3,5,6,7,8).
What are the key properties of N-(N'-ethylcarbamimidoyl)formamide?
N-(N'-ethylcarbamimidoyl)formamide has a molecular weight of 115.14 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-ethylcarbamimidoyl)formamide is sourced from PubChem (CID 71416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).