cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate

C11H12N2O2 — CID 59115258

IUPACcyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCC1C=CC=CC1)n1ccnc1
InChIInChI=1S/C11H12N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-4,6-7,9-10H,5,8H2
InChIKeyWMYIHQRMDYUOIK-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.00
Rot. Bonds2

About cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate

cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate (PubChem CID 59115258) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate
PubChem CID59115258
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namecyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCC1C=CC=CC1)n1ccnc1
InChIInChI=1S/C11H12N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-4,6-7,9-10H,5,8H2
InChIKeyWMYIHQRMDYUOIK-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate?
The IUPAC name of cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate (CID 59115258) is cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate is O=C(OCC1C=CC=CC1)n1ccnc1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate?
The InChIKey is WMYIHQRMDYUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(13-7-6-12-9-13)15-8-10-4-2-1-3-5-10/h1-4,6-7,9-10H,5,8H2.
What are the key properties of cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate?
cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 59115258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).