(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one

C9H10O — CID 100970015

IUPAC(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one
SMILESO=C1C2C[C@@H]3C4C1C4[C@@H]3C2
InChIInChI=1S/C9H10O/c10-9-3-1-4-5(2-3)7-6(4)8(7)9/h3-8H,1-2H2/t3?,4-,5+,6?,7?,8?
InChIKeyOMVMJPLORVGPQC-PRYFLJHMSA-N
MW134.18 g/mol
LogP1.09
Rot. Bonds

About (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one

(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one (PubChem CID 100970015) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one.

Molecular Properties

Compound Name(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one
PubChem CID100970015
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one
SMILESO=C1C2C[C@@H]3C4C1C4[C@@H]3C2
InChIInChI=1S/C9H10O/c10-9-3-1-4-5(2-3)7-6(4)8(7)9/h3-8H,1-2H2/t3?,4-,5+,6?,7?,8?
InChIKeyOMVMJPLORVGPQC-PRYFLJHMSA-N
XLogP1.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,6S)-tricyclo[2.2.1.02,6]heptan-3-one
CID 6994514
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
CID 78226067
(1S,2S,3R,5S,6S,7S,9R,10S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
CID 124710529
(1R,4S,5R,7S,8S,13S,14R,16S)-heptacyclo[7.7.0.02,13.03,8.04,12.05,7.014,16]hexadecane-10,11-dione
CID 100896530
(1S,2S,3R,5R,6R,7R,9R,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
CID 124710584
(1S,2S,3R,5S,6R,7R,8S,9R,10R)-7-bromopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 99845185
(1S,2R,3S,5R,6S,7R,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-one
CID 129463355
pentacyclo[5.5.0.02,6.03,10.05,9]dodecane-8,12-dione
CID 14639363
bicyclo[1.1.1]pentan-2-one
CID 13356641
(1R,2S,3S,4S,7S,8R,10S,11R)-pentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-5,12-dien-9-one
CID 98478068
(1S,3S,5S,7S)-4-bromoadamantane-2,6-dione
CID 11139326
(1S,2R,4S,5R,8S,9S,11S,12R)-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione
CID 11889790

Frequently Asked Questions

What is the IUPAC name of (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one?
The IUPAC name of (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one (CID 100970015) is (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one.
What is the SMILES notation for (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one?
The canonical SMILES for (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one is O=C1C2C[C@@H]3C4C1C4[C@@H]3C2.
What is the InChIKey of (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one?
The InChIKey is OMVMJPLORVGPQC-PRYFLJHMSA-N. The full InChI is InChI=1S/C9H10O/c10-9-3-1-4-5(2-3)7-6(4)8(7)9/h3-8H,1-2H2/t3?,4-,5+,6?,7?,8?.
What are the key properties of (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one?
(3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one has a molecular weight of 134.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-tetracyclo[3.3.1.02,8.03,7]nonan-9-one is sourced from PubChem (CID 100970015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).