3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen

C9H19NO — CID 177320061

IUPAC3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen
SMILESC=C(CCNC)O/C(C)=C\C.[H][H]
InChIInChI=1S/C9H17NO.H2/c1-5-8(2)11-9(3)6-7-10-4;/h5,10H,3,6-7H2,1-2,4H3;1H/b8-5-;
InChIKeyREFYKGVDZDBAAR-HGKIGUAWSA-N
MW157.26 g/mol
LogP2.30
Rot. Bonds5

About 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen

3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen (PubChem CID 177320061) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen
PubChem CID177320061
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen
SMILESC=C(CCNC)O/C(C)=C\C.[H][H]
InChIInChI=1S/C9H17NO.H2/c1-5-8(2)11-9(3)6-7-10-4;/h5,10H,3,6-7H2,1-2,4H3;1H/b8-5-;
InChIKeyREFYKGVDZDBAAR-HGKIGUAWSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.30
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 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen (CID 177320061) is 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen is C=C(CCNC)O/C(C)=C\C.[H][H].
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen?
The InChIKey is REFYKGVDZDBAAR-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H17NO.H2/c1-5-8(2)11-9(3)6-7-10-4;/h5,10H,3,6-7H2,1-2,4H3;1H/b8-5-;.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen?
3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen has a molecular weight of 157.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]oxy-N-methylbut-3-en-1-amine;molecular hydrogen is sourced from PubChem (CID 177320061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).