(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane

C10H16 — CID 96842588

IUPAC(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyQHJFJYRDVNTTOT-BDAKNGLRSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane

(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane (PubChem CID 96842588) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
PubChem CID96842588
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyQHJFJYRDVNTTOT-BDAKNGLRSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
CID 11062657
[[(1Z)-1-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]ethyl]amino]thiourea
CID 2132294
2,3-di(propan-2-ylidene)bicyclo[2.2.1]heptane
CID 57216990
2-[(1Z)-1-(2-bicyclo[2.2.1]heptanylidene)-1-(2-bicyclo[2.2.1]hept-2-enyl)-2-methylpropan-2-yl]bicyclo[2.2.1]hept-2-ene
CID 123366269
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
2-ethenylidenebicyclo[2.2.1]heptane
CID 21311745
2-butylidenebicyclo[2.2.1]heptane
CID 548869
(2Z)-2-(2-bicyclo[2.2.2]octanylidene)butanoic acid
CID 165441555
tert-butyl (2Z)-2-(2-bicyclo[2.2.1]heptanylidene)acetate
CID 164648779
2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
CID 175890138
tricyclo[6.2.1.02,6]undec-2(6)-ene
CID 12898252

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane (CID 96842588) is (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane is CC(C)=C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane?
The InChIKey is QHJFJYRDVNTTOT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane?
(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 96842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).