(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one

C8H12O2 — CID 15262519

IUPAC(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
SMILESCO[C@H]1[C@@H]2CC[C@H]1C(=O)C2
InChIInChI=1S/C8H12O2/c1-10-8-5-2-3-6(8)7(9)4-5/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyDXNOPYDVHJWJMK-CHKWXVPMSA-N
MW140.18 g/mol
LogP1.00
Rot. Bonds1

About (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one

(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one (PubChem CID 15262519) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
PubChem CID15262519
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one
SMILESCO[C@H]1[C@@H]2CC[C@H]1C(=O)C2
InChIInChI=1S/C8H12O2/c1-10-8-5-2-3-6(8)7(9)4-5/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m1/s1
InChIKeyDXNOPYDVHJWJMK-CHKWXVPMSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S,7R,10S)-tricyclo[5.2.1.04,10]decan-2-one
CID 95565105
(1S,4R,7R)-7-chlorobicyclo[2.2.1]heptan-2-one
CID 15262521
(1R,4S,6S)-6-methoxybicyclo[2.2.2]octan-2-one
CID 10796965
7-(hydroxymethyl)bicyclo[2.2.1]heptan-2-one
CID 14488388
(1S,3aR,7aR)-1-methoxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 15724631
7-hydroxy-2-(4-hydroxy-3-methoxycyclohexyl)-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 140633953
3-ethyl-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 90838413
tert-butyl N-[(1S,4R,7S)-2-oxo-7-bicyclo[2.2.1]heptanyl]carbamate
CID 99995947
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(4aS,4bR,8aS,10aR)-2,3,4,4a,4b,5,6,7,8,8a,10,10a-dodecahydro-1H-phenanthren-9-one
CID 12555701
2,3,3a,5,5a,6,7,8,8a,8b-decahydro-1H-as-indacen-4-one
CID 565423
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one (CID 15262519) is (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one is CO[C@H]1[C@@H]2CC[C@H]1C(=O)C2.
What is the InChIKey of (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one?
The InChIKey is DXNOPYDVHJWJMK-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-5-2-3-6(8)7(9)4-5/h5-6,8H,2-4H2,1H3/t5-,6+,8+/m1/s1.
What are the key properties of (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one?
(1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S)-7-methoxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 15262519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).