5-imino-3,3,7-trimethyloct-6-en-4-one

C11H19NO — CID 143460352

IUPAC5-imino-3,3,7-trimethyloct-6-en-4-one
SMILES[H]/N=C(\C=C(C)C)C(=O)C(C)(C)CC
InChIInChI=1S/C11H19NO/c1-6-11(4,5)10(13)9(12)7-8(2)3/h7,12H,6H2,1-5H3/b12-9+
InChIKeyRNASOOTYUHEIQG-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.98
Rot. Bonds4

About 5-imino-3,3,7-trimethyloct-6-en-4-one

5-imino-3,3,7-trimethyloct-6-en-4-one (PubChem CID 143460352) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-imino-3,3,7-trimethyloct-6-en-4-one.

Molecular Properties

Compound Name5-imino-3,3,7-trimethyloct-6-en-4-one
PubChem CID143460352
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-imino-3,3,7-trimethyloct-6-en-4-one
SMILES[H]/N=C(\C=C(C)C)C(=O)C(C)(C)CC
InChIInChI=1S/C11H19NO/c1-6-11(4,5)10(13)9(12)7-8(2)3/h7,12H,6H2,1-5H3/b12-9+
InChIKeyRNASOOTYUHEIQG-FMIVXFBMSA-N
XLogP2.98
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,5-Di-tert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 15291331
(E,7Z)-7-hydroxyimino-2,2,5,8,8-pentamethylnon-5-en-3-one
CID 100998587
2,4-Ditert-butyl-6-iminocyclohexa-2,4-dien-1-one
CID 85557317
(5E)-3-imino-6,10-dimethylundeca-5,9-dien-2-one
CID 88814103
(E)-2-imino-4-propan-2-yloct-4-en-3-one
CID 91087920
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
(E)-6,7-diimino-3,4-dimethyloct-4-en-2-one
CID 123547676
4-Imino-2,6-dimethylhept-5-en-3-one
CID 123908856
(E)-4,7,7-trimethyl-6-methyliminooct-4-en-2-one
CID 126727862
4-Imino-3,5,5-trimethylcyclohex-2-en-1-one
CID 139604763
(Z,3S)-5-ethanimidoyl-3-methylhept-5-en-2-one
CID 144390543
(Z)-4-imino-3,3,5-trimethylhept-5-en-2-one
CID 156192222

Frequently Asked Questions

What is the IUPAC name of 5-imino-3,3,7-trimethyloct-6-en-4-one?
The IUPAC name of 5-imino-3,3,7-trimethyloct-6-en-4-one (CID 143460352) is 5-imino-3,3,7-trimethyloct-6-en-4-one.
What is the SMILES notation for 5-imino-3,3,7-trimethyloct-6-en-4-one?
The canonical SMILES for 5-imino-3,3,7-trimethyloct-6-en-4-one is [H]/N=C(\C=C(C)C)C(=O)C(C)(C)CC.
What is the InChIKey of 5-imino-3,3,7-trimethyloct-6-en-4-one?
The InChIKey is RNASOOTYUHEIQG-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(4,5)10(13)9(12)7-8(2)3/h7,12H,6H2,1-5H3/b12-9+.
What are the key properties of 5-imino-3,3,7-trimethyloct-6-en-4-one?
5-imino-3,3,7-trimethyloct-6-en-4-one has a molecular weight of 181.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-3,3,7-trimethyloct-6-en-4-one is sourced from PubChem (CID 143460352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).