10-imino-2-methylundec-1-ene-3,8-dione

C12H19NO2 — CID 155055760

IUPAC10-imino-2-methylundec-1-ene-3,8-dione
SMILES[H]/N=C(\C)CC(=O)CCCCC(=O)C(=C)C
InChIInChI=1S/C12H19NO2/c1-9(2)12(15)7-5-4-6-11(14)8-10(3)13/h13H,1,4-8H2,2-3H3/b13-10+
InChIKeyLKICMYSSPXFISW-JLHYYAGUSA-N
MW209.29 g/mol
LogP2.69
Rot. Bonds8

About 10-imino-2-methylundec-1-ene-3,8-dione

10-imino-2-methylundec-1-ene-3,8-dione (PubChem CID 155055760) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 10-imino-2-methylundec-1-ene-3,8-dione.

Molecular Properties

Compound Name10-imino-2-methylundec-1-ene-3,8-dione
PubChem CID155055760
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name10-imino-2-methylundec-1-ene-3,8-dione
SMILES[H]/N=C(\C)CC(=O)CCCCC(=O)C(=C)C
InChIInChI=1S/C12H19NO2/c1-9(2)12(15)7-5-4-6-11(14)8-10(3)13/h13H,1,4-8H2,2-3H3/b13-10+
InChIKeyLKICMYSSPXFISW-JLHYYAGUSA-N
XLogP2.69
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-imino-2-methylundec-1-ene-3,8-dione?
The IUPAC name of 10-imino-2-methylundec-1-ene-3,8-dione (CID 155055760) is 10-imino-2-methylundec-1-ene-3,8-dione.
What is the SMILES notation for 10-imino-2-methylundec-1-ene-3,8-dione?
The canonical SMILES for 10-imino-2-methylundec-1-ene-3,8-dione is [H]/N=C(\C)CC(=O)CCCCC(=O)C(=C)C.
What is the InChIKey of 10-imino-2-methylundec-1-ene-3,8-dione?
The InChIKey is LKICMYSSPXFISW-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)12(15)7-5-4-6-11(14)8-10(3)13/h13H,1,4-8H2,2-3H3/b13-10+.
What are the key properties of 10-imino-2-methylundec-1-ene-3,8-dione?
10-imino-2-methylundec-1-ene-3,8-dione has a molecular weight of 209.29 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-2-methylundec-1-ene-3,8-dione is sourced from PubChem (CID 155055760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).