(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine

C15H25N3O — CID 153360549

IUPAC(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.N#C/C(C=O)=C/C1CC1
InChIInChI=1S/C8H18N2.C7H7NO/c1-8(2)10-6-4-9(3)5-7-10;8-4-7(5-9)3-6-1-2-6/h8H,4-7H2,1-3H3;3,5-6H,1-2H2/b;7-3-
InChIKeyXZYVXSWCOZGMEN-KEAXFFGOSA-N
MW263.38 g/mol
LogP1.69
Rot. Bonds3

About (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine

(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine (PubChem CID 153360549) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine
PubChem CID153360549
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.N#C/C(C=O)=C/C1CC1
InChIInChI=1S/C8H18N2.C7H7NO/c1-8(2)10-6-4-9(3)5-7-10;8-4-7(5-9)3-6-1-2-6/h8H,4-7H2,1-3H3;3,5-6H,1-2H2/b;7-3-
InChIKeyXZYVXSWCOZGMEN-KEAXFFGOSA-N
XLogP1.69
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine (CID 153360549) is (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1.N#C/C(C=O)=C/C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is XZYVXSWCOZGMEN-KEAXFFGOSA-N. The full InChI is InChI=1S/C8H18N2.C7H7NO/c1-8(2)10-6-4-9(3)5-7-10;8-4-7(5-9)3-6-1-2-6/h8H,4-7H2,1-3H3;3,5-6H,1-2H2/b;7-3-.
What are the key properties of (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine?
(Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 263.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-2-formylprop-2-enenitrile;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 153360549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).