(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one

C10H14O — CID 54046597

IUPAC(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
SMILESCC=C[C@H]1C[C@@]12CCCC2=O
InChIInChI=1S/C10H14O/c1-2-4-8-7-10(8)6-3-5-9(10)11/h2,4,8H,3,5-7H2,1H3/t8-,10-/m0/s1
InChIKeyLPZSLESACDZARW-WPRPVWTQSA-N
MW150.22 g/mol
LogP2.32
Rot. Bonds1

About (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one

(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one (PubChem CID 54046597) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
PubChem CID54046597
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
SMILESCC=C[C@H]1C[C@@]12CCCC2=O
InChIInChI=1S/C10H14O/c1-2-4-8-7-10(8)6-3-5-9(10)11/h2,4,8H,3,5-7H2,1H3/t8-,10-/m0/s1
InChIKeyLPZSLESACDZARW-WPRPVWTQSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.32
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

(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(4R,8S)-8-[(E,1R)-1-methoxybut-2-enyl]spiro[3.4]octan-3-one
CID 23650127
2-ethenyl-3-hydroxyspiro[3.5]nonan-9-one
CID 101268637
8-methylspiro[3.4]octan-3-one
CID 557011
(9Z)-9-ethylidenespiro[4.4]nonan-4-one
CID 131431997
4-methylspiro[4.5]dec-2-en-10-one
CID 12923988
1-[(E)-prop-1-enyl]bicyclo[3.2.1]octan-2-one
CID 102118242
1-prop-1-enylbicyclo[3.2.1]octan-2-one
CID 53440392
(6S)-11-hydroxyspiro[5.5]undecan-5-one
CID 157212438
9-methylspiro[3.5]nonan-3-one
CID 557033
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062
4-methyl-2-azaspiro[4.5]decan-6-one
CID 165478308

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one?
The IUPAC name of (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one (CID 54046597) is (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one.
What is the SMILES notation for (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one?
The canonical SMILES for (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one is CC=C[C@H]1C[C@@]12CCCC2=O.
What is the InChIKey of (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one?
The InChIKey is LPZSLESACDZARW-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14O/c1-2-4-8-7-10(8)6-3-5-9(10)11/h2,4,8H,3,5-7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one?
(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one has a molecular weight of 150.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one is sourced from PubChem (CID 54046597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).