N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide

C10H17N3O2 — CID 9352285

IUPACN-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide
SMILESCCC(CC)=NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O2/c1-3-7(4-2)12-13-10(15)9(14)11-8-5-6-8/h8H,3-6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyDCCAPUZLQPBBDA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.56
Rot. Bonds4

About N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide

N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide (PubChem CID 9352285) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide
PubChem CID9352285
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide
SMILESCCC(CC)=NNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H17N3O2/c1-3-7(4-2)12-13-10(15)9(14)11-8-5-6-8/h8H,3-6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyDCCAPUZLQPBBDA-UHFFFAOYSA-N
XLogP0.56
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide?
The IUPAC name of N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide (CID 9352285) is N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide is CCC(CC)=NNC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide?
The InChIKey is DCCAPUZLQPBBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-7(4-2)12-13-10(15)9(14)11-8-5-6-8/h8H,3-6H2,1-2H3,(H,11,14)(H,13,15).
What are the key properties of N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide?
N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide has a molecular weight of 211.26 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(pentan-3-ylideneamino)oxamide is sourced from PubChem (CID 9352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).