(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one

C12H14O2 — CID 132563212

IUPAC(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one
SMILESC/C=C/[C@]1(c2ccco2)CCCC1=O
InChIInChI=1S/C12H14O2/c1-2-7-12(8-3-5-10(12)13)11-6-4-9-14-11/h2,4,6-7,9H,3,5,8H2,1H3/b7-2+/t12-/m0/s1
InChIKeyKDVGVDZTXCFHHR-YGOPWGPOSA-N
MW190.24 g/mol
LogP2.85
Rot. Bonds2

About (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one

(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one (PubChem CID 132563212) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one
PubChem CID132563212
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one
SMILESC/C=C/[C@]1(c2ccco2)CCCC1=O
InChIInChI=1S/C12H14O2/c1-2-7-12(8-3-5-10(12)13)11-6-4-9-14-11/h2,4,6-7,9H,3,5,8H2,1H3/b7-2+/t12-/m0/s1
InChIKeyKDVGVDZTXCFHHR-YGOPWGPOSA-N
XLogP2.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pentylfuran
CID 19602
2-Butylfuran
CID 20534
2-Heptylfuran
CID 19603
Furfuryl methyl ketone
CID 228583
2-Propylfuran
CID 77907
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
Avocadenofuran
CID 6857792
4-(2-Furyl)-2-butanone
CID 12780
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
2-Decylfuran
CID 12762300
2-Octylfuran
CID 77845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one (CID 132563212) is (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one is C/C=C/[C@]1(c2ccco2)CCCC1=O.
What is the InChIKey of (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one?
The InChIKey is KDVGVDZTXCFHHR-YGOPWGPOSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-7-12(8-3-5-10(12)13)11-6-4-9-14-11/h2,4,6-7,9H,3,5,8H2,1H3/b7-2+/t12-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one?
(2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-2-[(E)-prop-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 132563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).