(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide

C11H17N3O — CID 167135354

IUPAC(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide
SMILESC=N/C(=C\N=C\C)C(=O)N[C@H](C)C(=C)C
InChIInChI=1S/C11H17N3O/c1-6-13-7-10(12-5)11(15)14-9(4)8(2)3/h6-7,9H,2,5H2,1,3-4H3,(H,14,15)/b10-7-,13-6+/t9-/m1/s1
InChIKeyAMYMDMVZOAZHDF-URCOJPSXSA-N
MW207.28 g/mol
LogP1.70
Rot. Bonds5

About (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide

(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide (PubChem CID 167135354) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide
PubChem CID167135354
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide
SMILESC=N/C(=C\N=C\C)C(=O)N[C@H](C)C(=C)C
InChIInChI=1S/C11H17N3O/c1-6-13-7-10(12-5)11(15)14-9(4)8(2)3/h6-7,9H,2,5H2,1,3-4H3,(H,14,15)/b10-7-,13-6+/t9-/m1/s1
InChIKeyAMYMDMVZOAZHDF-URCOJPSXSA-N
XLogP1.70
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide?
The IUPAC name of (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide (CID 167135354) is (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide?
The canonical SMILES for (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide is C=N/C(=C\N=C\C)C(=O)N[C@H](C)C(=C)C.
What is the InChIKey of (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide?
The InChIKey is AMYMDMVZOAZHDF-URCOJPSXSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6-13-7-10(12-5)11(15)14-9(4)8(2)3/h6-7,9H,2,5H2,1,3-4H3,(H,14,15)/b10-7-,13-6+/t9-/m1/s1.
What are the key properties of (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide?
(Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethylideneamino)-N-[(2R)-3-methylbut-3-en-2-yl]-2-(methylideneamino)prop-2-enamide is sourced from PubChem (CID 167135354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).