1,4,7-trimethylbicyclo[2.2.1]hept-2-ene

C10H16 — CID 123899625

IUPAC1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1C2(C)C=CC1(C)CC2
InChIInChI=1S/C10H16/c1-8-9(2)4-6-10(8,3)7-5-9/h4,6,8H,5,7H2,1-3H3
InChIKeyXRGZJEGROADZMD-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene

1,4,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 123899625) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID123899625
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1C2(C)C=CC1(C)CC2
InChIInChI=1S/C10H16/c1-8-9(2)4-6-10(8,3)7-5-9/h4,6,8H,5,7H2,1-3H3
InChIKeyXRGZJEGROADZMD-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

1,7-dimethyl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135209924
1,4-dimethylbicyclo[3.2.0]hept-6-ene
CID 90487116
7-methylbicyclo[2.2.1]hept-2-ene-1,4-dicarboxylic acid
CID 139638376
(1R,2S,5R,6R,7R)-2,7-dimethyltricyclo[5.2.2.01,5]undec-8-ene-6-carbaldehyde
CID 102355175
(5S)-1,5-dimethyl-3-(1-methylcyclopropyl)cyclopenta-1,3-diene
CID 153389792
1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid
CID 14244006
CID 18798545
CID 18798545
dimethyl 1-methoxy-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 142765234
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
barium(2+);1-methyl-4-propan-2-ylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 101328275
1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 15180746
(1R,2S,6R,7S)-1-methyl-7-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 101328296

Frequently Asked Questions

What is the IUPAC name of 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 123899625) is 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene is CC1C2(C)C=CC1(C)CC2.
What is the InChIKey of 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is XRGZJEGROADZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-9(2)4-6-10(8,3)7-5-9/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene?
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 123899625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).