(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one

C10H16O — CID 135056630

IUPAC(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one
SMILESCC/C=C/[C@@]1(C)CCCC1=O
InChIInChI=1S/C10H16O/c1-3-4-7-10(2)8-5-6-9(10)11/h4,7H,3,5-6,8H2,1-2H3/b7-4+/t10-/m0/s1
InChIKeyMXYVSMVZRBPUGB-QBBOHKLWSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one

(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one (PubChem CID 135056630) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one
PubChem CID135056630
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one
SMILESCC/C=C/[C@@]1(C)CCCC1=O
InChIInChI=1S/C10H16O/c1-3-4-7-10(2)8-5-6-9(10)11/h4,7H,3,5-6,8H2,1-2H3/b7-4+/t10-/m0/s1
InChIKeyMXYVSMVZRBPUGB-QBBOHKLWSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one?
The IUPAC name of (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one (CID 135056630) is (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one.
What is the SMILES notation for (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one?
The canonical SMILES for (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one is CC/C=C/[C@@]1(C)CCCC1=O.
What is the InChIKey of (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one?
The InChIKey is MXYVSMVZRBPUGB-QBBOHKLWSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-7-10(2)8-5-6-9(10)11/h4,7H,3,5-6,8H2,1-2H3/b7-4+/t10-/m0/s1.
What are the key properties of (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one?
(2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-but-1-enyl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 135056630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).