N-[(Z)-3-methylbutan-2-ylideneamino]acetamide

C7H14N2O — CID 5369187

IUPACN-[(Z)-3-methylbutan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)6(3)8-9-7(4)10/h5H,1-4H3,(H,9,10)/b8-6-
InChIKeyDGRNIPTUSBUTDN-VURMDHGXSA-N
MW142.20 g/mol
LogP1.15
Rot. Bonds2

About N-[(Z)-3-methylbutan-2-ylideneamino]acetamide

N-[(Z)-3-methylbutan-2-ylideneamino]acetamide (PubChem CID 5369187) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-[(Z)-3-methylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-methylbutan-2-ylideneamino]acetamide
PubChem CID5369187
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-[(Z)-3-methylbutan-2-ylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)C(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)6(3)8-9-7(4)10/h5H,1-4H3,(H,9,10)/b8-6-
InChIKeyDGRNIPTUSBUTDN-VURMDHGXSA-N
XLogP1.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(Z)-3-methylbutan-2-ylideneamino]acetamide?
The IUPAC name of N-[(Z)-3-methylbutan-2-ylideneamino]acetamide (CID 5369187) is N-[(Z)-3-methylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-3-methylbutan-2-ylideneamino]acetamide?
The canonical SMILES for N-[(Z)-3-methylbutan-2-ylideneamino]acetamide is CC(=O)N/N=C(/C)C(C)C.
What is the InChIKey of N-[(Z)-3-methylbutan-2-ylideneamino]acetamide?
The InChIKey is DGRNIPTUSBUTDN-VURMDHGXSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)6(3)8-9-7(4)10/h5H,1-4H3,(H,9,10)/b8-6-.
What are the key properties of N-[(Z)-3-methylbutan-2-ylideneamino]acetamide?
N-[(Z)-3-methylbutan-2-ylideneamino]acetamide has a molecular weight of 142.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 5369187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).