(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine

C9H17NO — CID 177320241

IUPAC(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
SMILESC/C=C(/CN)O/C(C)=C\CC
InChIInChI=1S/C9H17NO/c1-4-6-8(3)11-9(5-2)7-10/h5-6H,4,7,10H2,1-3H3/b8-6-,9-5-
InChIKeyJOWJBTXLTHOXHE-VZPCVYTNSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds4

About (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine

(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine (PubChem CID 177320241) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
PubChem CID177320241
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
SMILESC/C=C(/CN)O/C(C)=C\CC
InChIInChI=1S/C9H17NO/c1-4-6-8(3)11-9(5-2)7-10/h5-6H,4,7,10H2,1-3H3/b8-6-,9-5-
InChIKeyJOWJBTXLTHOXHE-VZPCVYTNSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The IUPAC name of (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine (CID 177320241) is (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The canonical SMILES for (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine is C/C=C(/CN)O/C(C)=C\CC.
What is the InChIKey of (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
The InChIKey is JOWJBTXLTHOXHE-VZPCVYTNSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8(3)11-9(5-2)7-10/h5-6H,4,7,10H2,1-3H3/b8-6-,9-5-.
What are the key properties of (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine?
(Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine is sourced from PubChem (CID 177320241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).