(1R,6S)-bicyclo[4.1.0]heptane

C7H12 — CID 638054

IUPAC(1R,6S)-bicyclo[4.1.0]heptane
SMILESC1CC[C@H]2C[C@H]2C1
InChIInChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2/t6-,7+
InChIKeyWPHGSKGZRAQSGP-KNVOCYPGSA-N
MW96.17 g/mol
LogP2.20
Rot. Bonds

About (1R,6S)-bicyclo[4.1.0]heptane

(1R,6S)-bicyclo[4.1.0]heptane (PubChem CID 638054) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (1R,6S)-bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6S)-bicyclo[4.1.0]heptane
PubChem CID638054
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(1R,6S)-bicyclo[4.1.0]heptane
SMILESC1CC[C@H]2C[C@H]2C1
InChIInChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2/t6-,7+
InChIKeyWPHGSKGZRAQSGP-KNVOCYPGSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
CID 159099716
CID 159099716
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[3.1.0]hexane;dihydrochloride
CID 141306080
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190
tricyclo[4.3.1.12,5]undecane
CID 13070377
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-bicyclo[4.1.0]heptane?
The IUPAC name of (1R,6S)-bicyclo[4.1.0]heptane (CID 638054) is (1R,6S)-bicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6S)-bicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6S)-bicyclo[4.1.0]heptane is C1CC[C@H]2C[C@H]2C1.
What is the InChIKey of (1R,6S)-bicyclo[4.1.0]heptane?
The InChIKey is WPHGSKGZRAQSGP-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2/t6-,7+.
What are the key properties of (1R,6S)-bicyclo[4.1.0]heptane?
(1R,6S)-bicyclo[4.1.0]heptane has a molecular weight of 96.17 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-bicyclo[4.1.0]heptane is sourced from PubChem (CID 638054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).