(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate

C10H14O2 — CID 90261977

IUPAC(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=C(C)CC1
InChIInChI=1S/C10H14O2/c1-7(2)10(11)12-9-5-4-8(3)6-9/h6,9H,1,4-5H2,2-3H3
InChIKeyXRWVDDIQDXKAMW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds2

About (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate

(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate (PubChem CID 90261977) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
PubChem CID90261977
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=C(C)CC1
InChIInChI=1S/C10H14O2/c1-7(2)10(11)12-9-5-4-8(3)6-9/h6,9H,1,4-5H2,2-3H3
InChIKeyXRWVDDIQDXKAMW-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate (CID 90261977) is (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1C=C(C)CC1.
What is the InChIKey of (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate?
The InChIKey is XRWVDDIQDXKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)10(11)12-9-5-4-8(3)6-9/h6,9H,1,4-5H2,2-3H3.
What are the key properties of (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate?
(3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopent-2-en-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 90261977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).