2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one

C10H16O — CID 173162094

IUPAC2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one
SMILESCC(C)/C=C\C1CCCC1=O
InChIInChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6-9H,3-5H2,1-2H3/b7-6-
InChIKeyPKBSUVMLIXMKRI-SREVYHEPSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one

2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one (PubChem CID 173162094) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one
PubChem CID173162094
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one
SMILESCC(C)/C=C\C1CCCC1=O
InChIInChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6-9H,3-5H2,1-2H3/b7-6-
InChIKeyPKBSUVMLIXMKRI-SREVYHEPSA-N
XLogP2.57
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 ≤ 52.57
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 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one?
The IUPAC name of 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one (CID 173162094) is 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one?
The canonical SMILES for 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one is CC(C)/C=C\C1CCCC1=O.
What is the InChIKey of 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one?
The InChIKey is PKBSUVMLIXMKRI-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6-9H,3-5H2,1-2H3/b7-6-.
What are the key properties of 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one?
2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylbut-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 173162094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).