(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol

C11H13NO — CID 163587315

IUPAC(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol
SMILESN[C@H]1C=C/C=C\C=C(O)/C=C\C=C/1
InChIInChI=1S/C11H13NO/c12-10-6-2-1-3-8-11(13)9-5-4-7-10/h1-10,13H,12H2/b3-1-,6-2?,7-4-,9-5-,11-8+/t10-/m0/s1
InChIKeyGMOCOCZQBUGHQA-RTKGAKDTSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds

About (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol

(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol (PubChem CID 163587315) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol.

Molecular Properties

Compound Name(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol
PubChem CID163587315
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol
SMILESN[C@H]1C=C/C=C\C=C(O)/C=C\C=C/1
InChIInChI=1S/C11H13NO/c12-10-6-2-1-3-8-11(13)9-5-4-7-10/h1-10,13H,12H2/b3-1-,6-2?,7-4-,9-5-,11-8+/t10-/m0/s1
InChIKeyGMOCOCZQBUGHQA-RTKGAKDTSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Fluoroamino)cyclohexa-1,5-dien-1-ol
CID 142075000
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
4-Hydroperoxycyclohexa-2,4-dien-1-amine
CID 89153689
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
CID 90222187
4-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 129115171
(3Z,5E)-8-aminoocta-1,3,5-triene-3,4-diol
CID 130470797
5-(Aminomethyl)cyclohepta-1,3,6-triene-1,3-diol
CID 134485037
(2E,4Z)-7-aminohepta-2,4-dien-3-ol
CID 135251476

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol?
The IUPAC name of (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol (CID 163587315) is (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol.
What is the SMILES notation for (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol?
The canonical SMILES for (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol is N[C@H]1C=C/C=C\C=C(O)/C=C\C=C/1.
What is the InChIKey of (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol?
The InChIKey is GMOCOCZQBUGHQA-RTKGAKDTSA-N. The full InChI is InChI=1S/C11H13NO/c12-10-6-2-1-3-8-11(13)9-5-4-7-10/h1-10,13H,12H2/b3-1-,6-2?,7-4-,9-5-,11-8+/t10-/m0/s1.
What are the key properties of (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol?
(1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol has a molecular weight of 175.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,7S,8Z,10Z)-7-aminocycloundeca-1,3,5,8,10-pentaen-1-ol is sourced from PubChem (CID 163587315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).