7-methylbicyclo[3.2.1]oct-1(7)-ene

C9H14 — CID 148582916

IUPAC7-methylbicyclo[3.2.1]oct-1(7)-ene
SMILESCC1=C2CCCC(C1)C2
InChIInChI=1S/C9H14/c1-7-5-8-3-2-4-9(7)6-8/h8H,2-6H2,1H3
InChIKeyMZCDNSBKSPYYDB-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.90
Rot. Bonds

About 7-methylbicyclo[3.2.1]oct-1(7)-ene

7-methylbicyclo[3.2.1]oct-1(7)-ene (PubChem CID 148582916) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 7-methylbicyclo[3.2.1]oct-1(7)-ene.

Molecular Properties

Compound Name7-methylbicyclo[3.2.1]oct-1(7)-ene
PubChem CID148582916
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name7-methylbicyclo[3.2.1]oct-1(7)-ene
SMILESCC1=C2CCCC(C1)C2
InChIInChI=1S/C9H14/c1-7-5-8-3-2-4-9(7)6-8/h8H,2-6H2,1H3
InChIKeyMZCDNSBKSPYYDB-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.90
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-methylbicyclo[2.2.1]hept-1-ene bromide
CID 22267048
2-methylbicyclo[8.5.1]hexadec-1-ene
CID 123408144
6-methylbicyclo[3.1.1]hept-1(6)-ene
CID 143372667
(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983
tricyclo[6.2.1.02,6]undec-2(6)-ene
CID 12898252
3-(3-methylcyclohexylidene)cyclobutan-1-amine
CID 103394006
1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 89175619
2,5,5-trimethylbicyclo[2.2.1]hept-1-ene
CID 57027101
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683
3-(3,4-dimethylcyclohexylidene)cyclohexan-1-amine
CID 79879726
1,6-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 145155684

Frequently Asked Questions

What is the IUPAC name of 7-methylbicyclo[3.2.1]oct-1(7)-ene?
The IUPAC name of 7-methylbicyclo[3.2.1]oct-1(7)-ene (CID 148582916) is 7-methylbicyclo[3.2.1]oct-1(7)-ene.
What is the SMILES notation for 7-methylbicyclo[3.2.1]oct-1(7)-ene?
The canonical SMILES for 7-methylbicyclo[3.2.1]oct-1(7)-ene is CC1=C2CCCC(C1)C2.
What is the InChIKey of 7-methylbicyclo[3.2.1]oct-1(7)-ene?
The InChIKey is MZCDNSBKSPYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-5-8-3-2-4-9(7)6-8/h8H,2-6H2,1H3.
What are the key properties of 7-methylbicyclo[3.2.1]oct-1(7)-ene?
7-methylbicyclo[3.2.1]oct-1(7)-ene has a molecular weight of 122.21 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylbicyclo[3.2.1]oct-1(7)-ene is sourced from PubChem (CID 148582916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).