4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol

C10H17NO2 — CID 163743339

IUPAC4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol
SMILES[H]/N=C(\CC(=C)C(=C)C)C(O)(O)CC
InChIInChI=1S/C10H17NO2/c1-5-10(12,13)9(11)6-8(4)7(2)3/h11-13H,2,4-6H2,1,3H3/b11-9+
InChIKeyLJRHGYHZFRVQLX-PKNBQFBNSA-N
MW183.25 g/mol
LogP1.62
Rot. Bonds5

About 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol

4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol (PubChem CID 163743339) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol.

Molecular Properties

Compound Name4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol
PubChem CID163743339
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol
SMILES[H]/N=C(\CC(=C)C(=C)C)C(O)(O)CC
InChIInChI=1S/C10H17NO2/c1-5-10(12,13)9(11)6-8(4)7(2)3/h11-13H,2,4-6H2,1,3H3/b11-9+
InChIKeyLJRHGYHZFRVQLX-PKNBQFBNSA-N
XLogP1.62
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

heptane-3,5-diimine
CID 142023911
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium
CID 87578261
[1-hydroxy-1-(2-methylprop-2-enoylamino)propyl]-trimethylazanium chloride
CID 87578260
1,1-dihydroxypropyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium
CID 142903075
1-methoxy-3,3,4-trimethylpent-4-en-2-imine
CID 142560291
diethyl-(3-imino-4-methylpent-4-enyl)-methylazanium
CID 174946249
ethane;ethene;2-methylbut-1-ene;2-methyl-3-methylidenepent-1-ene;propane
CID 145442822
2-hydroxy-2-methylbutanimidamide
CID 23422942
methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578
2,2-difluoropentan-3-imine
CID 123948481
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443
3-ethyl-3,6-dimethyl-5-methylidenehept-6-en-2-one
CID 59467315

Frequently Asked Questions

What is the IUPAC name of 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol?
The IUPAC name of 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol (CID 163743339) is 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol.
What is the SMILES notation for 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol?
The canonical SMILES for 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol is [H]/N=C(\CC(=C)C(=C)C)C(O)(O)CC.
What is the InChIKey of 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol?
The InChIKey is LJRHGYHZFRVQLX-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-10(12,13)9(11)6-8(4)7(2)3/h11-13H,2,4-6H2,1,3H3/b11-9+.
What are the key properties of 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol?
4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol has a molecular weight of 183.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-7-methyl-6-methylideneoct-7-ene-3,3-diol is sourced from PubChem (CID 163743339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).