(1Z)-N-methoxybuta-1,3-dien-1-amine

C5H9NO — CID 146939245

IUPAC(1Z)-N-methoxybuta-1,3-dien-1-amine
SMILESC=C/C=C\NOC
InChIInChI=1S/C5H9NO/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4-
InChIKeyAGNRUHIJLCIFML-PLNGDYQASA-N
MW99.13 g/mol
LogP0.84
Rot. Bonds3

About (1Z)-N-methoxybuta-1,3-dien-1-amine

(1Z)-N-methoxybuta-1,3-dien-1-amine (PubChem CID 146939245) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1Z)-N-methoxybuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-methoxybuta-1,3-dien-1-amine
PubChem CID146939245
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1Z)-N-methoxybuta-1,3-dien-1-amine
SMILESC=C/C=C\NOC
InChIInChI=1S/C5H9NO/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4-
InChIKeyAGNRUHIJLCIFML-PLNGDYQASA-N
XLogP0.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methoxybuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-methoxybuta-1,3-dien-1-amine (CID 146939245) is (1Z)-N-methoxybuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-methoxybuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-methoxybuta-1,3-dien-1-amine is C=C/C=C\NOC.
What is the InChIKey of (1Z)-N-methoxybuta-1,3-dien-1-amine?
The InChIKey is AGNRUHIJLCIFML-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4-.
What are the key properties of (1Z)-N-methoxybuta-1,3-dien-1-amine?
(1Z)-N-methoxybuta-1,3-dien-1-amine has a molecular weight of 99.13 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methoxybuta-1,3-dien-1-amine is sourced from PubChem (CID 146939245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).