(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol

C7H11NO — CID 89416519

IUPAC(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C\N=C\C)CO
InChIInChI=1S/C7H11NO/c1-3-8-5-4-7(2)6-9/h3-5,9H,2,6H2,1H3/b5-4-,8-3+
InChIKeyZXBGQGWTFUDWJQ-UEQFWHKLSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds3

About (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol

(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol (PubChem CID 89416519) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol
PubChem CID89416519
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol
SMILESC=C(/C=C\N=C\C)CO
InChIInChI=1S/C7H11NO/c1-3-8-5-4-7(2)6-9/h3-5,9H,2,6H2,1H3/b5-4-,8-3+
InChIKeyZXBGQGWTFUDWJQ-UEQFWHKLSA-N
XLogP1.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
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 (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol?
The IUPAC name of (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol (CID 89416519) is (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol.
What is the SMILES notation for (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol?
The canonical SMILES for (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol is C=C(/C=C\N=C\C)CO.
What is the InChIKey of (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol?
The InChIKey is ZXBGQGWTFUDWJQ-UEQFWHKLSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-8-5-4-7(2)6-9/h3-5,9H,2,6H2,1H3/b5-4-,8-3+.
What are the key properties of (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol?
(Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylideneamino)-2-methylidenebut-3-en-1-ol is sourced from PubChem (CID 89416519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).