2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide

C9H15N3O — CID 6250271

IUPAC2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
SMILESC/C(CC(C)C)=N/NC(=O)CC#N
InChIInChI=1S/C9H15N3O/c1-7(2)6-8(3)11-12-9(13)4-5-10/h7H,4,6H2,1-3H3,(H,12,13)/b11-8-
InChIKeyGIQHQEAUHZSGPX-FLIBITNWSA-N
MW181.24 g/mol
LogP1.44
Rot. Bonds4

About 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide

2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide (PubChem CID 6250271) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
PubChem CID6250271
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
SMILESC/C(CC(C)C)=N/NC(=O)CC#N
InChIInChI=1S/C9H15N3O/c1-7(2)6-8(3)11-12-9(13)4-5-10/h7H,4,6H2,1-3H3,(H,12,13)/b11-8-
InChIKeyGIQHQEAUHZSGPX-FLIBITNWSA-N
XLogP1.44
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide (CID 6250271) is 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide is C/C(CC(C)C)=N/NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
The InChIKey is GIQHQEAUHZSGPX-FLIBITNWSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)6-8(3)11-12-9(13)4-5-10/h7H,4,6H2,1-3H3,(H,12,13)/b11-8-.
What are the key properties of 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide?
2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide has a molecular weight of 181.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide is sourced from PubChem (CID 6250271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).