N-cyclopropyl-2-isocyanoacetamide

C6H8N2O — CID 108814843

IUPACN-cyclopropyl-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NC1CC1
InChIInChI=1S/C6H8N2O/c1-7-4-6(9)8-5-2-3-5/h5H,2-4H2,(H,8,9)
InChIKeyPQUMXGPRVAGMQV-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.18
Rot. Bonds2

About N-cyclopropyl-2-isocyanoacetamide

N-cyclopropyl-2-isocyanoacetamide (PubChem CID 108814843) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is N-cyclopropyl-2-isocyanoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-isocyanoacetamide
PubChem CID108814843
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC NameN-cyclopropyl-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NC1CC1
InChIInChI=1S/C6H8N2O/c1-7-4-6(9)8-5-2-3-5/h5H,2-4H2,(H,8,9)
InChIKeyPQUMXGPRVAGMQV-UHFFFAOYSA-N
XLogP0.18
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-isocyanoacetamide?
The IUPAC name of N-cyclopropyl-2-isocyanoacetamide (CID 108814843) is N-cyclopropyl-2-isocyanoacetamide.
What is the SMILES notation for N-cyclopropyl-2-isocyanoacetamide?
The canonical SMILES for N-cyclopropyl-2-isocyanoacetamide is [C-]#[N+]CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-isocyanoacetamide?
The InChIKey is PQUMXGPRVAGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-7-4-6(9)8-5-2-3-5/h5H,2-4H2,(H,8,9).
What are the key properties of N-cyclopropyl-2-isocyanoacetamide?
N-cyclopropyl-2-isocyanoacetamide has a molecular weight of 124.14 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-isocyanoacetamide is sourced from PubChem (CID 108814843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).