cyanomethyl cyclopent-2-ene-1-carboxylate

C8H9NO2 — CID 167484011

IUPACcyanomethyl cyclopent-2-ene-1-carboxylate
SMILESN#CCOC(=O)C1C=CCC1
InChIInChI=1S/C8H9NO2/c9-5-6-11-8(10)7-3-1-2-4-7/h1,3,7H,2,4,6H2
InChIKeyMMUOKDRMHWFNAV-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.02
Rot. Bonds2

About cyanomethyl cyclopent-2-ene-1-carboxylate

cyanomethyl cyclopent-2-ene-1-carboxylate (PubChem CID 167484011) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is cyanomethyl cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namecyanomethyl cyclopent-2-ene-1-carboxylate
PubChem CID167484011
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namecyanomethyl cyclopent-2-ene-1-carboxylate
SMILESN#CCOC(=O)C1C=CCC1
InChIInChI=1S/C8H9NO2/c9-5-6-11-8(10)7-3-1-2-4-7/h1,3,7H,2,4,6H2
InChIKeyMMUOKDRMHWFNAV-UHFFFAOYSA-N
XLogP1.02
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid
CID 121308555
1-cyclopent-2-en-1-ylethanone
CID 12714402
3-[(E)-pent-2-en-3-yl]cyclopentene
CID 171069296
cyanomethyl piperidine-2-carboxylate
CID 141438271
cyanomethyl 2,2-difluorocyclopentane-1-carboxylate
CID 130634596
phenacyl cyclohex-2-ene-1-carboxylate
CID 2883093
ethyl cyclopent-2-ene-1-carboximidate
CID 141103941
cyanomethyl spiro[2.3]hexane-2-carboxylate
CID 130614827
cyanomethyl hydrogen carbonate
CID 18508970
cyanomethyl 2-oxabicyclo[4.1.0]heptane-7-carboxylate
CID 130618772
cyanomethyl 2-methyloxane-3-carboxylate
CID 130694328
ethyl 2-cyclopent-2-en-1-yloxyacetate
CID 142141236

Frequently Asked Questions

What is the IUPAC name of cyanomethyl cyclopent-2-ene-1-carboxylate?
The IUPAC name of cyanomethyl cyclopent-2-ene-1-carboxylate (CID 167484011) is cyanomethyl cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for cyanomethyl cyclopent-2-ene-1-carboxylate?
The canonical SMILES for cyanomethyl cyclopent-2-ene-1-carboxylate is N#CCOC(=O)C1C=CCC1.
What is the InChIKey of cyanomethyl cyclopent-2-ene-1-carboxylate?
The InChIKey is MMUOKDRMHWFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c9-5-6-11-8(10)7-3-1-2-4-7/h1,3,7H,2,4,6H2.
What are the key properties of cyanomethyl cyclopent-2-ene-1-carboxylate?
cyanomethyl cyclopent-2-ene-1-carboxylate has a molecular weight of 151.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 167484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).