cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one

C9H14O — CID 10654284

IUPACcis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CC(=O)C[C@H]1C
InChIInChI=1S/C9H14O/c1-6(2)9-5-8(10)4-7(9)3/h7,9H,1,4-5H2,2-3H3/t7-,9-/m1/s1
InChIKeyPISHYJLOWZIEOY-VXNVDRBHSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one

cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one (PubChem CID 10654284) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one
PubChem CID10654284
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namecis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one
SMILESC=C(C)[C@H]1CC(=O)C[C@H]1C
InChIInChI=1S/C9H14O/c1-6(2)9-5-8(10)4-7(9)3/h7,9H,1,4-5H2,2-3H3/t7-,9-/m1/s1
InChIKeyPISHYJLOWZIEOY-VXNVDRBHSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
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 cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The IUPAC name of cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one (CID 10654284) is cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one.
What is the SMILES notation for cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The canonical SMILES for cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one is C=C(C)[C@H]1CC(=O)C[C@H]1C.
What is the InChIKey of cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
The InChIKey is PISHYJLOWZIEOY-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H14O/c1-6(2)9-5-8(10)4-7(9)3/h7,9H,1,4-5H2,2-3H3/t7-,9-/m1/s1.
What are the key properties of cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one?
cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-3-methyl-4-prop-1-en-2-ylcyclopentan-1-one is sourced from PubChem (CID 10654284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).