ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol

C8H15NO — CID 143457008

IUPACethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol
SMILESC=C/C(=C\N=C)CO.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-6(5-8)4-7-2;1-2/h3-4,8H,1-2,5H2;1-2H3/b6-4+;
InChIKeyMIXKXNVRIDHGIG-CVDVRWGVSA-N
MW141.21 g/mol
LogP1.78
Rot. Bonds3

About ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol

ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol (PubChem CID 143457008) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol.

Molecular Properties

Compound Nameethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol
PubChem CID143457008
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol
SMILESC=C/C(=C\N=C)CO.CC
InChIInChI=1S/C6H9NO.C2H6/c1-3-6(5-8)4-7-2;1-2/h3-4,8H,1-2,5H2;1-2H3/b6-4+;
InChIKeyMIXKXNVRIDHGIG-CVDVRWGVSA-N
XLogP1.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol?
The IUPAC name of ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol (CID 143457008) is ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol.
What is the SMILES notation for ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol?
The canonical SMILES for ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol is C=C/C(=C\N=C)CO.CC.
What is the InChIKey of ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol?
The InChIKey is MIXKXNVRIDHGIG-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c1-3-6(5-8)4-7-2;1-2/h3-4,8H,1-2,5H2;1-2H3/b6-4+;.
What are the key properties of ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol?
ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-[(methylideneamino)methylidene]but-3-en-1-ol is sourced from PubChem (CID 143457008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).