bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene

C25H41NO2 — CID 158297755

IUPACbicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene
SMILESCC1CC2CC2C1.CC1CC=CC1.NC1CC2CC2C1.O=COC1CC=CC1
InChIInChI=1S/C7H12.C6H11N.C6H8O2.C6H10/c1-5-2-6-4-7(6)3-5;7-6-2-4-1-5(4)3-6;7-5-8-6-3-1-2-4-6;1-6-4-2-3-5-6/h5-7H,2-4H2,1H3;4-6H,1-3,7H2;1-2,5-6H,3-4H2;2-3,6H,4-5H2,1H3
InChIKeyGMCRJJBQZFMCDI-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.65
Rot. Bonds2

About bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene

bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene (PubChem CID 158297755) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene.

Molecular Properties

Compound Namebicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene
PubChem CID158297755
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Namebicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene
SMILESCC1CC2CC2C1.CC1CC=CC1.NC1CC2CC2C1.O=COC1CC=CC1
InChIInChI=1S/C7H12.C6H11N.C6H8O2.C6H10/c1-5-2-6-4-7(6)3-5;7-6-2-4-1-5(4)3-6;7-5-8-6-3-1-2-4-6;1-6-4-2-3-5-6/h5-7H,2-4H2,1H3;4-6H,1-3,7H2;1-2,5-6H,3-4H2;2-3,6H,4-5H2,1H3
InChIKeyGMCRJJBQZFMCDI-UHFFFAOYSA-N
XLogP5.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene with MolForge

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Related Compounds

formic acid;3-methylcyclobutan-1-amine
CID 175472209
4-methylcyclopentene;oxophosphane
CID 175055525
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
7-methylbicyclo[3.3.1]nonan-3-amine
CID 58358746
7-methylbicyclo[3.3.1]nonan-3-amine;hydrochloride
CID 67983743
bicyclo[3.1.0]hexan-3-amine;formic acid;pent-3-enylcarbamic acid
CID 175815417
1-(difluoromethyl)-3-methylcyclobutane;formic acid
CID 174816382
(3Z)-6,13-dimethylbicyclo[6.5.0]trideca-3,10-diene
CID 140696480
(4-ethylcyclohexyl) formate
CID 57083456
[3-[methyl(methylsulfonyl)amino]cyclobutyl] formate
CID 174574774
[3-(diaminomethylideneamino)cyclopentyl] formate
CID 88834412

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene?
The IUPAC name of bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene (CID 158297755) is bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene.
What is the SMILES notation for bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene?
The canonical SMILES for bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene is CC1CC2CC2C1.CC1CC=CC1.NC1CC2CC2C1.O=COC1CC=CC1.
What is the InChIKey of bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene?
The InChIKey is GMCRJJBQZFMCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H11N.C6H8O2.C6H10/c1-5-2-6-4-7(6)3-5;7-6-2-4-1-5(4)3-6;7-5-8-6-3-1-2-4-6;1-6-4-2-3-5-6/h5-7H,2-4H2,1H3;4-6H,1-3,7H2;1-2,5-6H,3-4H2;2-3,6H,4-5H2,1H3.
What are the key properties of bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene?
bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene has a molecular weight of 387.61 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexan-3-amine;cyclopent-3-en-1-yl formate;3-methylbicyclo[3.1.0]hexane;4-methylcyclopentene is sourced from PubChem (CID 158297755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).