(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine

C11H19NO — CID 145255316

IUPAC(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)O[C@@H](C)C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)7-12-11(6)13-10(5)9(3)4/h7,9-10H,1,6H2,2-5H3/b12-7-/t10-/m0/s1
InChIKeyLUENKZVRPVPTFM-BZPKPHBRSA-N
MW181.28 g/mol
LogP3.17
Rot. Bonds5

About (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine

(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine (PubChem CID 145255316) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine
PubChem CID145255316
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)O[C@@H](C)C(C)C
InChIInChI=1S/C11H19NO/c1-8(2)7-12-11(6)13-10(5)9(3)4/h7,9-10H,1,6H2,2-5H3/b12-7-/t10-/m0/s1
InChIKeyLUENKZVRPVPTFM-BZPKPHBRSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine (CID 145255316) is (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine is C=C(C)/C=N\C(=C)O[C@@H](C)C(C)C.
What is the InChIKey of (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine?
The InChIKey is LUENKZVRPVPTFM-BZPKPHBRSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)7-12-11(6)13-10(5)9(3)4/h7,9-10H,1,6H2,2-5H3/b12-7-/t10-/m0/s1.
What are the key properties of (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine?
(Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine has a molecular weight of 181.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[1-[(2S)-3-methylbutan-2-yl]oxyethenyl]prop-2-en-1-imine is sourced from PubChem (CID 145255316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).