(Z)-8-imidazol-1-yloct-2-enoic acid

C11H16N2O2 — CID 12870464

IUPAC(Z)-8-imidazol-1-yloct-2-enoic acid
SMILESO=C(O)/C=C\CCCCCn1ccnc1
InChIInChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4-
InChIKeyBUNBRYAWSVWOMM-XQRVVYSFSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds7

About (Z)-8-imidazol-1-yloct-2-enoic acid

(Z)-8-imidazol-1-yloct-2-enoic acid (PubChem CID 12870464) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (Z)-8-imidazol-1-yloct-2-enoic acid.

Molecular Properties

Compound Name(Z)-8-imidazol-1-yloct-2-enoic acid
PubChem CID12870464
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(Z)-8-imidazol-1-yloct-2-enoic acid
SMILESO=C(O)/C=C\CCCCCn1ccnc1
InChIInChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4-
InChIKeyBUNBRYAWSVWOMM-XQRVVYSFSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-8-imidazol-1-yloct-2-enoic acid?
The IUPAC name of (Z)-8-imidazol-1-yloct-2-enoic acid (CID 12870464) is (Z)-8-imidazol-1-yloct-2-enoic acid.
What is the SMILES notation for (Z)-8-imidazol-1-yloct-2-enoic acid?
The canonical SMILES for (Z)-8-imidazol-1-yloct-2-enoic acid is O=C(O)/C=C\CCCCCn1ccnc1.
What is the InChIKey of (Z)-8-imidazol-1-yloct-2-enoic acid?
The InChIKey is BUNBRYAWSVWOMM-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h4,6-7,9-10H,1-3,5,8H2,(H,14,15)/b6-4-.
What are the key properties of (Z)-8-imidazol-1-yloct-2-enoic acid?
(Z)-8-imidazol-1-yloct-2-enoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-imidazol-1-yloct-2-enoic acid is sourced from PubChem (CID 12870464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).