N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

C9H12N2O5 — CID 89365436

IUPACN-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESO=CN(CC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C9H12N2O5/c12-5-10(1-7-3-15-7)9(14)11(6-13)2-8-4-16-8/h5-8H,1-4H2
InChIKeyATHBCHIMPPRCDE-UHFFFAOYSA-N
MW228.20 g/mol
LogP-1.18
Rot. Bonds6

About N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide

N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (PubChem CID 89365436) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
PubChem CID89365436
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC NameN-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
SMILESO=CN(CC1CO1)C(=O)N(C=O)CC1CO1
InChIInChI=1S/C9H12N2O5/c12-5-10(1-7-3-15-7)9(14)11(6-13)2-8-4-16-8/h5-8H,1-4H2
InChIKeyATHBCHIMPPRCDE-UHFFFAOYSA-N
XLogP-1.18
TPSA82.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The IUPAC name of N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide (CID 89365436) is N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide.
What is the SMILES notation for N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The canonical SMILES for N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is O=CN(CC1CO1)C(=O)N(C=O)CC1CO1.
What is the InChIKey of N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
The InChIKey is ATHBCHIMPPRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-5-10(1-7-3-15-7)9(14)11(6-13)2-8-4-16-8/h5-8H,1-4H2.
What are the key properties of N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide?
N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide has a molecular weight of 228.20 g/mol, XLogP of -1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[formyl(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide is sourced from PubChem (CID 89365436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).