(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one

C10H14O — CID 14134640

IUPAC(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one
SMILESC=CC[C@H]1C(=O)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H14O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m0/s1
InChIKeyICCDPZFFHSCTJZ-DJLDLDEBSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one

(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one (PubChem CID 14134640) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one
PubChem CID14134640
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one
SMILESC=CC[C@H]1C(=O)[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H14O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m0/s1
InChIKeyICCDPZFFHSCTJZ-DJLDLDEBSA-N
XLogP2.18
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 ≤ 52.18
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 (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one (CID 14134640) is (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one is C=CC[C@H]1C(=O)[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one?
The InChIKey is ICCDPZFFHSCTJZ-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-9-7-4-5-8(6-7)10(9)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m0/s1.
What are the key properties of (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one?
(1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 14134640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).