(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one

C10H14O — CID 102287554

IUPAC(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CCC(=O)/C1=C/C
InChIInChI=1S/C10H14O/c1-4-8-9(7(2)3)5-6-10(8)11/h4,9H,2,5-6H2,1,3H3/b8-4+/t9-/m1/s1
InChIKeySEWYBSGJHBXPBU-VGANXODHSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds1

About (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one

(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one (PubChem CID 102287554) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one
PubChem CID102287554
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CCC(=O)/C1=C/C
InChIInChI=1S/C10H14O/c1-4-8-9(7(2)3)5-6-10(8)11/h4,9H,2,5-6H2,1,3H3/b8-4+/t9-/m1/s1
InChIKeySEWYBSGJHBXPBU-VGANXODHSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one?
The IUPAC name of (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one (CID 102287554) is (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one.
What is the SMILES notation for (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one?
The canonical SMILES for (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one is C=C(C)[C@H]1CCC(=O)/C1=C/C.
What is the InChIKey of (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one?
The InChIKey is SEWYBSGJHBXPBU-VGANXODHSA-N. The full InChI is InChI=1S/C10H14O/c1-4-8-9(7(2)3)5-6-10(8)11/h4,9H,2,5-6H2,1,3H3/b8-4+/t9-/m1/s1.
What are the key properties of (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one?
(2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R)-2-ethylidene-3-prop-1-en-2-ylcyclopentan-1-one is sourced from PubChem (CID 102287554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).