methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate

C11H16O3 — CID 171514693

IUPACmethyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2C/C=C\[C@H](O)CC[C@@H]21
InChIInChI=1S/C11H16O3/c1-14-11(13)10-8-4-2-3-7(12)5-6-9(8)10/h2-3,7-10,12H,4-6H2,1H3/b3-2-/t7-,8+,9-,10-/m0/s1
InChIKeyGGCOQOQHJZJRMO-SAOLCECFSA-N
MW196.25 g/mol
LogP1.12
Rot. Bonds1

About methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate

methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate (PubChem CID 171514693) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate
PubChem CID171514693
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2C/C=C\[C@H](O)CC[C@@H]21
InChIInChI=1S/C11H16O3/c1-14-11(13)10-8-4-2-3-7(12)5-6-9(8)10/h2-3,7-10,12H,4-6H2,1H3/b3-2-/t7-,8+,9-,10-/m0/s1
InChIKeyGGCOQOQHJZJRMO-SAOLCECFSA-N
XLogP1.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate with MolForge

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Related Compounds

dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
methyl 4-hydroxycyclohex-2-ene-1-carboxylate
CID 85312144
dimethyl (1S,2R,3S)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 25224363
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
dimethyl 3-hydroxytetracyclo[5.4.1.02,6.08,11]dodecane-9,10-dicarboxylate
CID 139997119
methyl (1S)-2-amino-6-methylcyclohex-3-ene-1-carboxylate
CID 67989273
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
dimethyl pentacyclo[6.4.0.02,10.03,7.04,9]dodecane-5,6-dicarboxylate
CID 90482461
methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
CID 131850108
methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate
CID 129216486
methyl (1R,4aR,8aR)-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate
CID 10954443

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate?
The IUPAC name of methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate (CID 171514693) is methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate.
What is the SMILES notation for methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate?
The canonical SMILES for methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate is COC(=O)[C@H]1[C@@H]2C/C=C\[C@H](O)CC[C@@H]21.
What is the InChIKey of methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate?
The InChIKey is GGCOQOQHJZJRMO-SAOLCECFSA-N. The full InChI is InChI=1S/C11H16O3/c1-14-11(13)10-8-4-2-3-7(12)5-6-9(8)10/h2-3,7-10,12H,4-6H2,1H3/b3-2-/t7-,8+,9-,10-/m0/s1.
What are the key properties of methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate?
methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3Z,5R,8S,9R)-5-hydroxybicyclo[6.1.0]non-3-ene-9-carboxylate is sourced from PubChem (CID 171514693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).