(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine

C9H15NO — CID 170583113

IUPAC(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)OC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)6-10-9(5)11-8(3)4/h6,8H,1,5H2,2-4H3/b10-6-
InChIKeyNBXJQEOQTXJFEX-POHAHGRESA-N
MW153.22 g/mol
LogP2.53
Rot. Bonds4

About (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine

(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine (PubChem CID 170583113) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine
PubChem CID170583113
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine
SMILESC=C(C)/C=N\C(=C)OC(C)C
InChIInChI=1S/C9H15NO/c1-7(2)6-10-9(5)11-8(3)4/h6,8H,1,5H2,2-4H3/b10-6-
InChIKeyNBXJQEOQTXJFEX-POHAHGRESA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.53
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-propan-2-yloxyethenyl)prop-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine (CID 170583113) is (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine is C=C(C)/C=N\C(=C)OC(C)C.
What is the InChIKey of (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine?
The InChIKey is NBXJQEOQTXJFEX-POHAHGRESA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)6-10-9(5)11-8(3)4/h6,8H,1,5H2,2-4H3/b10-6-.
What are the key properties of (Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine?
(Z)-2-methyl-N-(1-propan-2-yloxyethenyl)prop-2-en-1-imine has a molecular weight of 153.22 g/mol, XLogP of 2.53, 4 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-propan-2-yloxyethenyl)prop-2-en-1-imine is sourced from PubChem (CID 170583113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).