1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone

C10H14O — CID 45085864

IUPAC1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
SMILESC=C(C)[C@H]1CC=C(C(C)=O)C1
InChIInChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1
InChIKeyBTXSVMBTNJSALB-VIFPVBQESA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone

1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone (PubChem CID 45085864) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
PubChem CID45085864
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
SMILESC=C(C)[C@H]1CC=C(C(C)=O)C1
InChIInChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1
InChIKeyBTXSVMBTNJSALB-VIFPVBQESA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Related Compounds

1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
CID 169026631
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 102093569
1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]-3-trimethylsilylprop-2-yn-1-one
CID 11064714
azane;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;(NE)-N-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)hydroxylamine;molecular hydrogen
CID 172962853
(2S,3S,4E)-2,3-dimethyl-4-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]butanoic acid
CID 10857831
1-(4-phenylsulfanylcyclopenten-1-yl)ethanone
CID 11458641
dimethyl 2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]propanedioate
CID 11821550
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] prop-2-enoate
CID 118478416
ethyl N-[(4R)-4-prop-1-en-2-ylcyclohexene-1-carbonyl]carbamate
CID 91137121
6-imino-4-prop-1-en-2-ylcyclohexene-1-carbonitrile
CID 89346723

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone (CID 45085864) is 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone is C=C(C)[C@H]1CC=C(C(C)=O)C1.
What is the InChIKey of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The InChIKey is BTXSVMBTNJSALB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1.
What are the key properties of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone is sourced from PubChem (CID 45085864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).