(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal

C10H15NO — CID 146288742

IUPAC(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
SMILES[H]/N=C(C)/C(C)=C\C(C=O)=C(C)C
InChIInChI=1S/C10H15NO/c1-7(2)10(6-12)5-8(3)9(4)11/h5-6,11H,1-4H3/b8-5-,11-9+
InChIKeyZPSNCAHQTCUSDB-TWGJSUAUSA-N
MW165.24 g/mol
LogP2.51
Rot. Bonds3

About (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal

(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal (PubChem CID 146288742) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal.

Molecular Properties

Compound Name(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
PubChem CID146288742
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal
SMILES[H]/N=C(C)/C(C)=C\C(C=O)=C(C)C
InChIInChI=1S/C10H15NO/c1-7(2)10(6-12)5-8(3)9(4)11/h5-6,11H,1-4H3/b8-5-,11-9+
InChIKeyZPSNCAHQTCUSDB-TWGJSUAUSA-N
XLogP2.51
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal?
The IUPAC name of (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal (CID 146288742) is (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal.
What is the SMILES notation for (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal?
The canonical SMILES for (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal is [H]/N=C(C)/C(C)=C\C(C=O)=C(C)C.
What is the InChIKey of (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal?
The InChIKey is ZPSNCAHQTCUSDB-TWGJSUAUSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)10(6-12)5-8(3)9(4)11/h5-6,11H,1-4H3/b8-5-,11-9+.
What are the key properties of (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal?
(Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal has a molecular weight of 165.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-4-methyl-2-propan-2-ylidenehex-3-enal is sourced from PubChem (CID 146288742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).