ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine

C11H21NO — CID 144801081

IUPACethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
SMILESC/C=C\N=C(\C=C/C)COC.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-9(8-11-3)10-7-5-2;1-2/h4-7H,8H2,1-3H3;1-2H3/b6-4-,7-5-,10-9-;
InChIKeyTWTYPKRITUEPFC-FDDDJWFFSA-N
MW183.29 g/mol
LogP3.21
Rot. Bonds4

About ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine

ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine (PubChem CID 144801081) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
PubChem CID144801081
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
SMILESC/C=C\N=C(\C=C/C)COC.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-9(8-11-3)10-7-5-2;1-2/h4-7H,8H2,1-3H3;1-2H3/b6-4-,7-5-,10-9-;
InChIKeyTWTYPKRITUEPFC-FDDDJWFFSA-N
XLogP3.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine?
The IUPAC name of ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine (CID 144801081) is ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine is C/C=C\N=C(\C=C/C)COC.CC.
What is the InChIKey of ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine?
The InChIKey is TWTYPKRITUEPFC-FDDDJWFFSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-4-6-9(8-11-3)10-7-5-2;1-2/h4-7H,8H2,1-3H3;1-2H3/b6-4-,7-5-,10-9-;.
What are the key properties of ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine?
ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine has a molecular weight of 183.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-methoxy-N-[(Z)-prop-1-enyl]pent-3-en-2-imine is sourced from PubChem (CID 144801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).