N-[(Z)-but-2-en-2-yl]oxymethanamine

C5H11NO — CID 129194467

IUPACN-[(Z)-but-2-en-2-yl]oxymethanamine
SMILESC/C=C(/C)ONC
InChIInChI=1S/C5H11NO/c1-4-5(2)7-6-3/h4,6H,1-3H3/b5-4-
InChIKeyPKLVWCDBCCRWDE-PLNGDYQASA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]oxymethanamine

N-[(Z)-but-2-en-2-yl]oxymethanamine (PubChem CID 129194467) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]oxymethanamine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]oxymethanamine
PubChem CID129194467
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-[(Z)-but-2-en-2-yl]oxymethanamine
SMILESC/C=C(/C)ONC
InChIInChI=1S/C5H11NO/c1-4-5(2)7-6-3/h4,6H,1-3H3/b5-4-
InChIKeyPKLVWCDBCCRWDE-PLNGDYQASA-N
XLogP1.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-but-2-en-2-yl]oxymethanamine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]oxymethanamine (CID 129194467) is N-[(Z)-but-2-en-2-yl]oxymethanamine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]oxymethanamine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]oxymethanamine is C/C=C(/C)ONC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]oxymethanamine?
The InChIKey is PKLVWCDBCCRWDE-PLNGDYQASA-N. The full InChI is InChI=1S/C5H11NO/c1-4-5(2)7-6-3/h4,6H,1-3H3/b5-4-.
What are the key properties of N-[(Z)-but-2-en-2-yl]oxymethanamine?
N-[(Z)-but-2-en-2-yl]oxymethanamine has a molecular weight of 101.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]oxymethanamine is sourced from PubChem (CID 129194467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).