(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal

C14H23NO — CID 146288765

IUPAC(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal
SMILES[H]/N=C(/C=C\C(C=O)=C(C)C)CCCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)6-5-7-14(15)9-8-13(10-16)12(3)4/h8-11,15H,5-7H2,1-4H3/b9-8-,15-14+
InChIKeyZGEVUDYDVYLHQD-IOHBIJDPSA-N
MW221.34 g/mol
LogP3.92
Rot. Bonds7

About (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal

(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal (PubChem CID 146288765) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal.

Molecular Properties

Compound Name(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal
PubChem CID146288765
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal
SMILES[H]/N=C(/C=C\C(C=O)=C(C)C)CCCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)6-5-7-14(15)9-8-13(10-16)12(3)4/h8-11,15H,5-7H2,1-4H3/b9-8-,15-14+
InChIKeyZGEVUDYDVYLHQD-IOHBIJDPSA-N
XLogP3.92
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.92
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-9-methyl-2-propan-2-ylidenedec-3-enal?
The IUPAC name of (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal (CID 146288765) is (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal.
What is the SMILES notation for (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal?
The canonical SMILES for (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal is [H]/N=C(/C=C\C(C=O)=C(C)C)CCCC(C)C.
What is the InChIKey of (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal?
The InChIKey is ZGEVUDYDVYLHQD-IOHBIJDPSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)6-5-7-14(15)9-8-13(10-16)12(3)4/h8-11,15H,5-7H2,1-4H3/b9-8-,15-14+.
What are the key properties of (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal?
(Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal has a molecular weight of 221.34 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-9-methyl-2-propan-2-ylidenedec-3-enal is sourced from PubChem (CID 146288765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).