(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]

C9H12 — CID 134980559

IUPAC(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
SMILESC1C[C@@H]2[C@@H]3[C@H]1[C@@H]3C21CC1
InChIInChI=1S/C9H12/c1-2-6-7-5(1)8(7)9(6)3-4-9/h5-8H,1-4H2/t5-,6+,7-,8-/m0/s1
InChIKeyPFKWPZHFYPPDEI-YWIQKCBGSA-N
MW120.20 g/mol
LogP2.05
Rot. Bonds

About (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]

(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] (PubChem CID 134980559) has the molecular formula C9H12 and a molecular weight of 120.20 g/mol. Its IUPAC name is (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane].

Molecular Properties

Compound Name(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
PubChem CID134980559
Molecular FormulaC9H12
Molecular Weight120.20 g/mol
Exact Mass120.09
IUPAC Name(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
SMILESC1C[C@@H]2[C@@H]3[C@H]1[C@@H]3C21CC1
InChIInChI=1S/C9H12/c1-2-6-7-5(1)8(7)9(6)3-4-9/h5-8H,1-4H2/t5-,6+,7-,8-/m0/s1
InChIKeyPFKWPZHFYPPDEI-YWIQKCBGSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] with MolForge

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Related Compounds

2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
CID 147978015
(1R,3R,4S,5R,8S,10S,13R,14R,16S,17R,18R,19R)-spiro[octacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadecane-15,3'-oxolane]
CID 98558130
2'-methylspiro[cyclopropane-1,4'-tricyclo[6.4.0.03,5]dodecane]
CID 163444946
pentacyclo[6.4.0.02,7.03,6.09,12]dodecan-3-amine
CID 174360020
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
(8R,13S,14S,15R,16R)-13,14,15,16-tetramethylhexacyclo[10.4.0.01,4.04,6.05,8.07,9]hexadecane
CID 163686569
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
CID 168816364
8-methyltetracyclo[4.2.0.01,7.02,5]octane
CID 123800376
12-(1-cyclopentylcyclobutyl)-7,17-difluoropentacyclo[11.8.0.02,11.03,8.016,21]henicosane
CID 149401704
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352

Frequently Asked Questions

What is the IUPAC name of (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]?
The IUPAC name of (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] (CID 134980559) is (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane].
What is the SMILES notation for (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]?
The canonical SMILES for (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] is C1C[C@@H]2[C@@H]3[C@H]1[C@@H]3C21CC1.
What is the InChIKey of (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]?
The InChIKey is PFKWPZHFYPPDEI-YWIQKCBGSA-N. The full InChI is InChI=1S/C9H12/c1-2-6-7-5(1)8(7)9(6)3-4-9/h5-8H,1-4H2/t5-,6+,7-,8-/m0/s1.
What are the key properties of (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]?
(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] has a molecular weight of 120.20 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane] is sourced from PubChem (CID 134980559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).